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

C19H13ClFN3O2S — CID 156601384

IUPACN-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H13ClFN3O2S/c20-15-10-13(6-8-16(15)21)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)
InChIKeyDSZGOHNWUGLEQU-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.82
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 156601384) has the molecular formula C19H13ClFN3O2S and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID156601384
Molecular FormulaC19H13ClFN3O2S
Molecular Weight401.85 g/mol
Exact Mass401.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H13ClFN3O2S/c20-15-10-13(6-8-16(15)21)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)
InChIKeyDSZGOHNWUGLEQU-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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Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
Ensulizole sodium
CID 23663543
5-chloro-6-[(4-chlorophenyl)methylsulfinyl]-2-cyclohexyl-1H-benzimidazole
CID 44449472
6-ethylsulfonyl-2-(4-fluoro-3-phenylphenyl)-1H-benzimidazole
CID 70682528
2-(4-chloro-3-phenylphenyl)-6-ethylsulfonyl-1H-benzimidazole
CID 70695120
6-ethylsulfonyl-2-(2-fluoro-5-phenylphenyl)-1H-benzimidazole
CID 70697153
Benzenesulfonamide, 4-[1-(4-chlorophenyl)-1H-benzimidazol-2-yl]-
CID 11625155
2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
CID 15989568
2-(2'-Fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-benzo[d]imidazole
CID 44247738
6-(cyclopropylsulfonyl)-2-(2''-fluorobiphenyl-4-yl)-1H-benzo[d]imidazole
CID 44464941
2-Biphenyl-4-yl-6-(methylsulfonyl)-1H-benzimidazole
CID 44464942
2-(4'-Fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-benzimidazole
CID 44464943

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 156601384) is N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is DSZGOHNWUGLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S/c20-15-10-13(6-8-16(15)21)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-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(3-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-(3-chloro-4-fluorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 156601384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).