4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide

C15H12FN3O3S — CID 11232863

IUPAC4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O3S/c16-11-5-1-9(2-6-11)13-14(18-19-15(13)20)10-3-7-12(8-4-10)23(17,21)22/h1-8H,(H2,17,21,22)(H2,18,19,20)
InChIKeyVZKIWYQKJKFUMB-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.82
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide

4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide (PubChem CID 11232863) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide
PubChem CID11232863
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O3S/c16-11-5-1-9(2-6-11)13-14(18-19-15(13)20)10-3-7-12(8-4-10)23(17,21)22/h1-8H,(H2,17,21,22)(H2,18,19,20)
InChIKeyVZKIWYQKJKFUMB-UHFFFAOYSA-N
XLogP1.82
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-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

Related Compounds

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 124132190
N'-(4-Fluorobiphenyl-3-carbonyl)benzenesulfonohydrazide
CID 134581360
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461
Sulfonyl urea 4d
CID 11339017
N-{[(benzenesulfonyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11773896
N'-Benzoyl-4-fluorobenzenesulfonohydrazide
CID 809426
N'-(benzenesulfonyl)-3-(3-fluorophenyl)benzohydrazide
CID 124132127
N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 124132147
N'-(2-fluorophenyl)sulfonyl-3-methylbenzohydrazide
CID 124132152

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide (CID 11232863) is 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide?
The InChIKey is VZKIWYQKJKFUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-11-5-1-9(2-6-11)13-14(18-19-15(13)20)10-3-7-12(8-4-10)23(17,21)22/h1-8H,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-oxo-1,2-dihydropyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 11232863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).