4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide

C15H12FN3O3S — CID 135520112

IUPAC4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1
InChIInChI=1S/C15H12FN3O3S/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)11-2-4-12(5-3-11)23(17,21)22/h1-9,20H,(H2,17,21,22)
InChIKeyWYCLZXSYESFBKC-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.03
Rot. Bonds3

About 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 135520112) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID135520112
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1
InChIInChI=1S/C15H12FN3O3S/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)11-2-4-12(5-3-11)23(17,21)22/h1-9,20H,(H2,17,21,22)
InChIKeyWYCLZXSYESFBKC-UHFFFAOYSA-N
XLogP2.03
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 135520112) is 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nccc2-c2ccc(F)cc2O)cc1.
What is the InChIKey of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WYCLZXSYESFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)11-2-4-12(5-3-11)23(17,21)22/h1-9,20H,(H2,17,21,22).
What are the key properties of 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 135520112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).