4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C18H15N3O4S — CID 118932975

IUPAC4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3O4S/c1-21-16-10-17(25-2)15(9-13(16)5-8-18(21)22)20-26(23,24)14-6-3-12(11-19)4-7-14/h3-10,20H,1-2H3
InChIKeyNCCGOWLXEQZIMX-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.22
Rot. Bonds4

About 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118932975) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118932975
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H15N3O4S/c1-21-16-10-17(25-2)15(9-13(16)5-8-18(21)22)20-26(23,24)14-6-3-12(11-19)4-7-14/h3-10,20H,1-2H3
InChIKeyNCCGOWLXEQZIMX-UHFFFAOYSA-N
XLogP2.22
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118932975) is 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is NCCGOWLXEQZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-21-16-10-17(25-2)15(9-13(16)5-8-18(21)22)20-26(23,24)14-6-3-12(11-19)4-7-14/h3-10,20H,1-2H3.
What are the key properties of 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118932975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).