4-chloro-N-[methoxy-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide
PubChem CID: 1328227
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| Compound Synonyms | CCG-4986, 7134-19-2, Methyl N-[(4-chlorophenyl)sulfonyl]-4-nitrobenzenesulfinimidate, GTPL8721, (NE)-4-chloro-N-[methoxy-(4-nitrophenyl)-$l^{4}-sulfanylidene]benzenesulfonamide, DTXSID001017347, DB-417702, Q5009489, 4-chloro-N-[methoxy-(4-nitrophenyl)-I>>4-sulfanylidene]benzenesulfonamide, (NZ)-4-chloro-N-[methoxy-(4-nitrophenyl)-, E4-sulfanylidene]benzenesulfonamide, 4-CHLORO-N-[METHOXY(4-NITROPHENYL)-??-SULFANYLIDENE]BENZENESULFONAMIDE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(C)(CCC1CCCCC1)C1CCCCC1 |
| Deep Smiles | COS=NS=O)=O)cccccc6))Cl)))))))cccccc6))[N+]=O)[O-] |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OS(O)(NSC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzenesulfonamides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-chloro-N-[methoxy-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H11ClN2O5S2 |
| Scaffold Graph Node Bond Level | O=S(=O)(N=[SH]c1ccccc1)c1ccccc1 |
| Inchi Key | GIFNUYPIOIDEGE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | compound 1 |
| Esol Class | Moderately soluble |
| Functional Groups | cCl, cS(=NS(c)(=O)=O)OC, c[N+](=O)[O-] |
| Compound Name | 4-chloro-N-[methoxy-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide |
| Exact Mass | 373.98 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 373.98 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 374.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3 |
| Smiles | COS(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-] |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090609