4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

C22H16FN5O2S — CID 127044429

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
InChIKeyDRGYSZXRUDJHLX-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.87
Rot. Bonds4

About 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127044429) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127044429
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
InChIKeyDRGYSZXRUDJHLX-UHFFFAOYSA-N
XLogP3.87
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 127044429) is 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DRGYSZXRUDJHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 433.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127044429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).