N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide

C15H12N4O2S — CID 110760223

IUPACN-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2[nH]1
InChIInChI=1S/C15H12N4O2S/c1-10-17-14-7-6-13(8-15(14)18-10)22(20,21)19-12-4-2-11(9-16)3-5-12/h2-8,19H,1H3,(H,17,18)
InChIKeyLTNNRHNIFMGDGQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.54
Rot. Bonds3

About N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide

N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760223) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
PubChem CID110760223
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2[nH]1
InChIInChI=1S/C15H12N4O2S/c1-10-17-14-7-6-13(8-15(14)18-10)22(20,21)19-12-4-2-11(9-16)3-5-12/h2-8,19H,1H3,(H,17,18)
InChIKeyLTNNRHNIFMGDGQ-UHFFFAOYSA-N
XLogP2.54
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide 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-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide (CID 110760223) is N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2[nH]1.
What is the InChIKey of N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is LTNNRHNIFMGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10-17-14-7-6-13(8-15(14)18-10)22(20,21)19-12-4-2-11(9-16)3-5-12/h2-8,19H,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).