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

C17H19N3O2S — CID 110779087

IUPAC3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11(2)17-18-15-8-7-13(10-16(15)19-17)20-23(21,22)14-6-4-5-12(3)9-14/h4-11,20H,1-3H3,(H,18,19)
InChIKeyWEXGWTAIHCZPGH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.80
Rot. Bonds4

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

3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110779087) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110779087
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11(2)17-18-15-8-7-13(10-16(15)19-17)20-23(21,22)14-6-4-5-12(3)9-14/h4-11,20H,1-3H3,(H,18,19)
InChIKeyWEXGWTAIHCZPGH-UHFFFAOYSA-N
XLogP3.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 4669195
5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110779086
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
CID 42545343
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 55901351
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110779087) is 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c1.
What is the InChIKey of 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WEXGWTAIHCZPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(2)17-18-15-8-7-13(10-16(15)19-17)20-23(21,22)14-6-4-5-12(3)9-14/h4-11,20H,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110779087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).