3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

C15H12FN3O2S — CID 56716593

IUPAC3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-14-9-12(22(17,20)21)5-6-13(14)10-1-3-11(4-2-10)15-7-8-18-19-15/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyKCKHXUMMMMOLAQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.53
Rot. Bonds3

About 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 56716593) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID56716593
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-14-9-12(22(17,20)21)5-6-13(14)10-1-3-11(4-2-10)15-7-8-18-19-15/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyKCKHXUMMMMOLAQ-UHFFFAOYSA-N
XLogP2.53
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]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

N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
MEK4 inhibitor-1
CID 155424828
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
N-(1H-indazol-6-yl)-4-methylbenzene-1-sulfonamide
CID 2091314
4-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 1507317
Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
N-(1H-indazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 3442980
4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 25048609
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 56716593) is 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is KCKHXUMMMMOLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-14-9-12(22(17,20)21)5-6-13(14)10-1-3-11(4-2-10)15-7-8-18-19-15/h1-9H,(H,18,19)(H2,17,20,21).
What are the key properties of 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 56716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).