2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C15H12FN3O2S — CID 67645903

IUPAC2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-11-7-5-10(6-8-11)13-9-18-19-15(13)12-3-1-2-4-14(12)22(17,20)21/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyFEGOXUXKMUBBRG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.53
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 67645903) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID67645903
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-11-7-5-10(6-8-11)13-9-18-19-15(13)12-3-1-2-4-14(12)22(17,20)21/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyFEGOXUXKMUBBRG-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
3,4-Diphenylpyrazole
CID 301743
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
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
1,4-Dihydrothiochromeno[3,4-d]pyrazole 5,5-dioxide
CID 21854374
4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 25048609
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
4-Methyl-3-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-YL]-2H-pyrazole
CID 118740238
5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
CID 2806203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 67645903) is 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is FEGOXUXKMUBBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-7-5-10(6-8-11)13-9-18-19-15(13)12-3-1-2-4-14(12)22(17,20)21/h1-9H,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
2-[4-(4-fluorophenyl)-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 2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67645903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).