N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C19H13ClFN3O2S — CID 22430122

IUPACN-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H13ClFN3O2S/c20-15-10-13(21)6-8-16(15)24-27(25,26)14-7-9-17-18(11-14)23-19(22-17)12-4-2-1-3-5-12/h1-11,24H,(H,22,23)
InChIKeyATTULPHBGHFRII-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.82
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 22430122) has the molecular formula C19H13ClFN3O2S and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID22430122
Molecular FormulaC19H13ClFN3O2S
Molecular Weight401.85 g/mol
Exact Mass401.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H13ClFN3O2S/c20-15-10-13(21)6-8-16(15)24-27(25,26)14-7-9-17-18(11-14)23-19(22-17)12-4-2-1-3-5-12/h1-11,24H,(H,22,23)
InChIKeyATTULPHBGHFRII-UHFFFAOYSA-N
XLogP4.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 22430122) is N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is ATTULPHBGHFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S/c20-15-10-13(21)6-8-16(15)24-27(25,26)14-7-9-17-18(11-14)23-19(22-17)12-4-2-1-3-5-12/h1-11,24H,(H,22,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 401.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 22430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).