N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C21H19N3O2S — CID 15989559

IUPACN-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H19N3O2S/c1-2-15-8-6-7-11-18(15)24-27(25,26)17-12-13-19-20(14-17)23-21(22-19)16-9-4-3-5-10-16/h3-14,24H,2H2,1H3,(H,22,23)
InChIKeyQCILWIKTSSXTOF-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.59
Rot. Bonds5

About N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 15989559) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID15989559
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H19N3O2S/c1-2-15-8-6-7-11-18(15)24-27(25,26)17-12-13-19-20(14-17)23-21(22-19)16-9-4-3-5-10-16/h3-14,24H,2H2,1H3,(H,22,23)
InChIKeyQCILWIKTSSXTOF-UHFFFAOYSA-N
XLogP4.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 15989559) is N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is QCILWIKTSSXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-2-15-8-6-7-11-18(15)24-27(25,26)17-12-13-19-20(14-17)23-21(22-19)16-9-4-3-5-10-16/h3-14,24H,2H2,1H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 15989559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).