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

C13H9ClFN3O2S — CID 110760029

IUPACN-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(1-3-11(10)15)18-21(19,20)9-2-4-12-13(6-9)17-7-16-12/h1-7,18H,(H,16,17)
InChIKeyZWULZHNCUFKFDM-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.16
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760029) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760029
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(1-3-11(10)15)18-21(19,20)9-2-4-12-13(6-9)17-7-16-12/h1-7,18H,(H,16,17)
InChIKeyZWULZHNCUFKFDM-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(3-chloro-4-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 166302689
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide (CID 110760029) is N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is ZWULZHNCUFKFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-10-5-8(1-3-11(10)15)18-21(19,20)9-2-4-12-13(6-9)17-7-16-12/h1-7,18H,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide?
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 325.75 g/mol, XLogP of 3.16, 3 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)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).