4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide

C19H16N4O2S — CID 4192275

IUPAC4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-2-5-16(6-3-13)26(24,25)23-15-4-7-17-18(12-15)22-19(21-17)14-8-10-20-11-9-14/h2-12,23H,1H3,(H,21,22)
InChIKeySXGCHRFJOBSEFF-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.73
Rot. Bonds4

About 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide

4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 4192275) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID4192275
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1
InChIInChI=1S/C19H16N4O2S/c1-13-2-5-16(6-3-13)26(24,25)23-15-4-7-17-18(12-15)22-19(21-17)14-8-10-20-11-9-14/h2-12,23H,1H3,(H,21,22)
InChIKeySXGCHRFJOBSEFF-UHFFFAOYSA-N
XLogP3.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
CID 146021640
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789530
2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10115542
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 155805211
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 4192275) is 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1.
What is the InChIKey of 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is SXGCHRFJOBSEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-2-5-16(6-3-13)26(24,25)23-15-4-7-17-18(12-15)22-19(21-17)14-8-10-20-11-9-14/h2-12,23H,1H3,(H,21,22).
What are the key properties of 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 4192275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).