4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide

C15H12FN3O2S — CID 71060630

IUPAC4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C15H12FN3O2S/c16-11-6-7-13(22(17,20)21)15(12-8-9-18-19-12)14(11)10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyKCVGPXPZIWJJDQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.53
Rot. Bonds3

About 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide

4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 71060630) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID71060630
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C15H12FN3O2S/c16-11-6-7-13(22(17,20)21)15(12-8-9-18-19-12)14(11)10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyKCVGPXPZIWJJDQ-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

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Related Compounds

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
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)-3,4-dimethylbenzenesulfonamide
CID 2517424
3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 155424834
4-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 1507317
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 25048609
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 53590861
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 53604317
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 53605180
N-(1H-indazol-5-yl)naphthalene-1-sulfonamide
CID 72735413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide (CID 71060630) is 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(-c2ccccc2)c1-c1ccn[nH]1.
What is the InChIKey of 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is KCVGPXPZIWJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-6-7-13(22(17,20)21)15(12-8-9-18-19-12)14(11)10-4-2-1-3-5-10/h1-9H,(H,18,19)(H2,17,20,21).
What are the key properties of 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide?
4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)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 4-fluoro-3-phenyl-2-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71060630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).