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

C15H12FN3O2S — CID 10852952

IUPAC4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-3-1-11(2-4-12)15-9-10-18-19(15)13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H2,17,20,21)
InChIKeyYUOCGDSBLSSNGT-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.33
Rot. Bonds3

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

4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10852952) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10852952
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-3-1-11(2-4-12)15-9-10-18-19(15)13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H2,17,20,21)
InChIKeyYUOCGDSBLSSNGT-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-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 10852952) is 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YUOCGDSBLSSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-3-1-11(2-4-12)15-9-10-18-19(15)13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H2,17,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)pyrazol-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-[5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10852952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).