2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

C15H12N4O3S — CID 110721904

IUPAC2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccccc3C#N)ccc21
InChIInChI=1S/C15H12N4O3S/c1-19-13-7-6-11(8-12(13)17-15(19)20)18-23(21,22)14-5-3-2-4-10(14)9-16/h2-8,18H,1H3,(H,17,20)
InChIKeyIYSLSCKUWHFFBC-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.54
Rot. Bonds3

About 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110721904) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110721904
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccccc3C#N)ccc21
InChIInChI=1S/C15H12N4O3S/c1-19-13-7-6-11(8-12(13)17-15(19)20)18-23(21,22)14-5-3-2-4-10(14)9-16/h2-8,18H,1H3,(H,17,20)
InChIKeyIYSLSCKUWHFFBC-UHFFFAOYSA-N
XLogP1.54
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-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

Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 2979626
2,4,6-trimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3480396
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 7997824
4-Ethyl-N-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 20962015
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-fluorobenzenesulfonamide
CID 1249871
4-tert-butyl-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 1251510
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 2972934
N-[4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-ylsulfamoyl)-3-methyl-phenyl]-acetamide
CID 3163517
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
CID 3918464
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
CID 15990260
N-[6-(Benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzene-1-sulfonamide
CID 15990286

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110721904) is 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccccc3C#N)ccc21.
What is the InChIKey of 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is IYSLSCKUWHFFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-19-13-7-6-11(8-12(13)17-15(19)20)18-23(21,22)14-5-3-2-4-10(14)9-16/h2-8,18H,1H3,(H,17,20).
What are the key properties of 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 328.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110721904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).