4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C18H15N3O3S — CID 118918695

IUPAC4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C18H15N3O3S/c1-12-9-13(11-19)3-7-17(12)25(23,24)20-15-5-6-16-14(10-15)4-8-18(22)21(16)2/h3-10,20H,1-2H3
InChIKeyWBCRPNMBAUKETL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.52
Rot. Bonds3

About 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918695) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918695
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C18H15N3O3S/c1-12-9-13(11-19)3-7-17(12)25(23,24)20-15-5-6-16-14(10-15)4-8-18(22)21(16)2/h3-10,20H,1-2H3
InChIKeyWBCRPNMBAUKETL-UHFFFAOYSA-N
XLogP2.52
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 132572107
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933132
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
4-cyano-N-(3-formylphenyl)-2-methylbenzenesulfonamide
CID 106998702
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918695) is 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1.
What is the InChIKey of 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is WBCRPNMBAUKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-9-13(11-19)3-7-17(12)25(23,24)20-15-5-6-16-14(10-15)4-8-18(22)21(16)2/h3-10,20H,1-2H3.
What are the key properties of 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).