4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide

C15H12FN3O2S — CID 10734248

IUPAC4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(F)c2-c2ccccc2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-14-10-18-19(15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H2,17,20,21)
InChIKeyYQLWJESVKCCSDD-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide

4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 10734248) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID10734248
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(F)c2-c2ccccc2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-14-10-18-19(15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H2,17,20,21)
InChIKeyYQLWJESVKCCSDD-UHFFFAOYSA-N
XLogP2.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide (CID 10734248) is 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc(F)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is YQLWJESVKCCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-14-10-18-19(15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H2,17,20,21).
What are the key properties of 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 10734248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).