5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
PubChem CID: 74766011
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3354127, 5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide, BDBM50030558, Q27463050, MB4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 165.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CC1CCCCC1)CC(C)(C)C1CCCCC1 |
| Deep Smiles | O=CNS=O)=O)cccccc6C)))))))))Nccccnc6))S=O)=O)N |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | OC(NC1CCCNC1)NS(O)(O)C1CCCCC1 |
| Classyfire Subclass | Pyridinesulfonamides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methylphenyl)sulfonyl-3-(6-sulfamoylpyridin-3-yl)urea |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H14N4O5S2 |
| Scaffold Graph Node Bond Level | O=C(Nc1cccnc1)NS(=O)(=O)c1ccccc1 |
| Inchi Key | FSPCZTCUVKLQSU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | mb-4 |
| Esol Class | Soluble |
| Functional Groups | cNC(=O)NS(c)(=O)=O, cS(N)(=O)=O, cnc |
| Compound Name | 5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide |
| Exact Mass | 370.041 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.041 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18) |
| Smiles | CC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=CN=C(C=C2)S(=O)(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Muricata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Turbinata (Plant) Rel Props:Reference:ISBN:9788185042138