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

C17H13N3O3S — CID 118932972

IUPAC3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3
InChIKeyCOVNONZQYCHIJS-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.21
Rot. Bonds3

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

3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118932972) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118932972
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3
InChIKeyCOVNONZQYCHIJS-UHFFFAOYSA-N
XLogP2.21
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118932972) is 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21.
What is the InChIKey of 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is COVNONZQYCHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3.
What are the key properties of 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118932972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).