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

C15H15N3O3S — CID 176561332

IUPACN-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCCO)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c19-9-8-16-22(20,21)12-6-7-13-14(10-12)18-15(17-13)11-4-2-1-3-5-11/h1-7,10,16,19H,8-9H2,(H,17,18)
InChIKeyWOZCEGCTFQQASJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.50
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 176561332) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID176561332
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCCO)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c19-9-8-16-22(20,21)12-6-7-13-14(10-12)18-15(17-13)11-4-2-1-3-5-11/h1-7,10,16,19H,8-9H2,(H,17,18)
InChIKeyWOZCEGCTFQQASJ-UHFFFAOYSA-N
XLogP1.50
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
CID 46273821
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040485
N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25039590
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
sulfino 2-phenyl-3H-benzimidazole-5-sulfonate
CID 137408588
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
(1S,2R,3R)-2-methyl-3-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 67526540
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040313

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 176561332) is N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is O=S(=O)(NCCO)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is WOZCEGCTFQQASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-9-8-16-22(20,21)12-6-7-13-14(10-12)18-15(17-13)11-4-2-1-3-5-11/h1-7,10,16,19H,8-9H2,(H,17,18).
What are the key properties of N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 176561332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).