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

C17H13N3O3S — CID 118918714

IUPAC4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
InChIKeyVXXXPCKZPJGNGK-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.21
Rot. Bonds3

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

4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918714) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918714
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3
InChIKeyVXXXPCKZPJGNGK-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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Related Compounds

4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide
CID 118933132
(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24416843
(E)-3-(4-cyanophenyl)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 15049732
4-cyano-N-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918694
4-cyano-N-(3-ethyl-1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918703
N-(1-methyl-2-oxoquinolin-6-yl)cyclopropanesulfonamide
CID 118918717
N-(1-methyl-2-oxoquinolin-6-yl)cyclohexanesulfonamide
CID 118918719
3-chloro-4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918720
4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918735
3-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118932972
2-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118932978
N-(4-cyanophenyl)-1-methyl-2-oxoquinoline-6-sulfonamide
CID 118932989

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918714) is 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is VXXXPCKZPJGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3.
What are the key properties of 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-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 4-cyano-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).