N-Butylbenzenesulfonamide
PubChem CID: 19241
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| Compound Synonyms | N-BUTYLBENZENESULFONAMIDE, 3622-84-2, Benzenesulfonamide, N-butyl-, N-n-Butylbenzenesulfonamide, Plastomoll BMB, N-BUTYL-BENZENESULFONAMIDE, Dellatol BBS, Plasthall BSA, Cetamoll BMB, N-Butylbenzenesulphonamide, Benzenesulfonic acid butyl amide, N-Butylbenzene sulfonamide, Uniplex 214, BM 4 (sulfonamide), N-(n-Butyl)benzenesulfonamide, NSC 3536, EINECS 222-823-6, DTXSID7027540, BRN 2725965, YO7UAW6717, CHEBI:44237, AI3-08011, NSC-3536, N-Butylbenzenesulfonamide-d9, DTXCID907540, EC 222-823-6, 4-11-00-00051 (Beilstein Handbook Reference), N-n-Butyl benzenesulfonamide, UNII-YO7UAW6717, NBB, CAS-3622-84-2, N- butylbenzenesulfonamide, MFCD00025024, N-Benzenesulfonylbutylamine, NButylsulfonamid, 3cz1, NButylbenzenesulphonamide, NnButylbenzenesulfonamide, NButylbenzene sulfonamide, NButylbenzolsulfonsaureamid, Benzenesulfonamide, Nbutyl, Cambridge id 5182395, SCHEMBL51729, CHEMBL479880, N-Butylbenzenesulfonamide, 99%, NSC3536, 3d78, HMS3604D04, nButylamide of benzenesulphonic acid, Tox21_201692, Tox21_303184, NnButylamide of benzenesulphonic acid, AKOS000120870, CS-W014968, DB02055, MS-7234, NCGC00164214-01, NCGC00164214-02, NCGC00256957-01, NCGC00259241-01, AC-12448, DB-080953, B0716, NS00007746, EN300-15785, D70361, AB00037309-01, AB00037309-02, N-butylbenzenesulphonamide, N-butylbenzenesulfonamide, Q14853448, Z45516915, F1113-0008, 222-823-6, benzenesulfonamide, n-butyl-, n-butylbenzenesulfonamide, n-butylbenzenesulphonamide, benzenesulfonamide, n-butyl- n-butylbenzenesulfonamide n-butylbenzenesulphonamide, InChI=1/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H |
|---|---|
| Topological Polar Surface Area | 54.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P34969, P19838 |
| Iupac Name | N-butylbenzenesulfonamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H15NO2S |
| Prediction Swissadme | 1.0 |
| Inchi Key | IPRJXAGUEGOFGG-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.454 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.437 |
| Compound Name | N-Butylbenzenesulfonamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 213.082 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 213.082 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 213.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.497815257142857 |
| Inchi | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 |
| Smiles | CCCCNS(=O)(=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Africana (Plant) Rel Props:Source_db:npass_chem_all