NS-398
PubChem CID: 4553
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| Compound Synonyms | ns-398, 123653-11-2, NS 398, N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide, NS398, N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide, Taisho NS 398, 9SP55KM2KS, CCRIS 8523, CHEBI:73458, N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide, MFCD00882995, CHEMBL7162, n-[2-(cyclohexyloxy)-4-nitrophenyl]-methanesulfonamide, Methanesulfonamide, N-(2-(cyclohexyloxy)-4-nitrophenyl)-, DTXSID8041084, NS-398 (NS398), SR-01000597479, Methanesulfonamide, N-[2-(cyclohexyloxy)-4-nitrophenyl]-, Taisho NS 398, N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide, Taisho NS-398, Tocris-0942, UNII-9SP55KM2KS, BSPBio_001264, KBioGR_000604, KBioSS_000604, SCHEMBL214213, n-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide, GTPL8976, N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide, DTXCID6021084, KBio2_000604, KBio2_003172, KBio2_005740, KBio3_001067, KBio3_001068, Bio2_000472, Bio2_000952, HMS1362P05, HMS1792P05, HMS1990P05, HMS3403P05, HMS3649O13, HMS3886L10, BCP18285, EX-A2402, BDBM50029593, s8433, AKOS015900136, AKOS015965848, CCG-267631, CS-5335, DB14060, NS-398?, IDI1_002227, NCGC00024892-01, NCGC00024892-02, NCGC00024892-03, AC-32669, BN163753, HY-13913, NS-398, >=98% (HPLC), solid, N1152, NS00069203, C71930, Q6955228, SR-01000597479-1, SR-01000597479-2, BRD-K53364951-001-02-6, NS-398 - CAS 123653-11-2, Methanesulfonamide,N-[2-(cyclohexyloxy)-4-nitrophenyl]-, N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide, CYCLOHEXYLOXY-4-NITROPHENYL)METHANESULFONAMIDE, N-(2-, N- [2- (Cyclohexyloxy) - 4- nitrophenyl] methanesulfonamide, N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398), N-[2-(CYCLOHEXYLOXY)-4-NITROPHENYL]METHANE-SULFONAMIDE, N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide, NS4 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide |
| Prediction Hob | 1.0 |
| Target Id | NPT31, NPT30, NPT441, NPT956 |
| Xlogp | 2.9 |
| Molecular Formula | C13H18N2O5S |
| Prediction Swissadme | 1.0 |
| Inchi Key | KTDZCOWXCWUPEO-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -4.051 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.355 |
| Compound Name | NS-398 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.094 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4659791714285717 |
| Inchi | InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 |
| Smiles | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agastache Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients