4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C19H17N3O3S — CID 118918703

IUPAC4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O
InChIInChI=1S/C19H17N3O3S/c1-3-14-10-15-11-16(6-9-18(15)22(2)19(14)23)21-26(24,25)17-7-4-13(12-20)5-8-17/h4-11,21H,3H2,1-2H3
InChIKeySFLJDWKPAAAKBU-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.77
Rot. Bonds4

About 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918703) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918703
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O
InChIInChI=1S/C19H17N3O3S/c1-3-14-10-15-11-16(6-9-18(15)22(2)19(14)23)21-26(24,25)17-7-4-13(12-20)5-8-17/h4-11,21H,3H2,1-2H3
InChIKeySFLJDWKPAAAKBU-UHFFFAOYSA-N
XLogP2.77
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-(3-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918703) is 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O.
What is the InChIKey of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is SFLJDWKPAAAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-14-10-15-11-16(6-9-18(15)22(2)19(14)23)21-26(24,25)17-7-4-13(12-20)5-8-17/h4-11,21H,3H2,1-2H3.
What are the key properties of 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).