6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide

C15H14ClN3O2S — CID 13289708

IUPAC6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(CCc3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c16-11-8-12-13(9-14(11)22(17,20)21)19-15(18-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)
InChIKeyGNGFTDOAHUYCED-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.65
Rot. Bonds4

About 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide

6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 13289708) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide
PubChem CID13289708
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(CCc3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c16-11-8-12-13(9-14(11)22(17,20)21)19-15(18-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)
InChIKeyGNGFTDOAHUYCED-UHFFFAOYSA-N
XLogP2.65
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
CID 13289697
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
CID 13289712
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345760
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
CID 141007133
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide (CID 13289708) is 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide is NS(=O)(=O)c1cc2[nH]c(CCc3ccccc3)nc2cc1Cl.
What is the InChIKey of 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is GNGFTDOAHUYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-11-8-12-13(9-14(11)22(17,20)21)19-15(18-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21).
What are the key properties of 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide?
6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 335.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 13289708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).