4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

C18H15N3O3S — CID 118933132

IUPAC4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O
InChIInChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
InChIKeyBMVCSXFOQPYKKC-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.52
Rot. Bonds3

About 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118933132) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118933132
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O
InChIInChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
InChIKeyBMVCSXFOQPYKKC-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

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Related Compounds

4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918695
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]sulfanyl-3-propan-2-ylbenzonitrile
CID 176970108
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
2-[(1,3-dimethyl-2-oxoquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608762
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
4-cyano-N-(7-methoxy-1,3,4-trimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918688
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118933132) is 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O.
What is the InChIKey of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is BMVCSXFOQPYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3.
What are the key properties of 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(1,3-dimethyl-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-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118933132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).