N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide

C20H17N3O2S — CID 100580925

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-14-7-12-18-19(13-14)22-20(21-18)15-8-10-16(11-9-15)23-26(24,25)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,21,22)
InChIKeyAJOYHCITCRUGAF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.34
Rot. Bonds4

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 100580925) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID100580925
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N3O2S/c1-14-7-12-18-19(13-14)22-20(21-18)15-8-10-16(11-9-15)23-26(24,25)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,21,22)
InChIKeyAJOYHCITCRUGAF-UHFFFAOYSA-N
XLogP4.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
CID 146021640
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10115542
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide (CID 100580925) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide is Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is AJOYHCITCRUGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-7-12-18-19(13-14)22-20(21-18)15-8-10-16(11-9-15)23-26(24,25)17-5-3-2-4-6-17/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100580925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).