1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide

C15H12FN3O3S — CID 71860436

IUPAC1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H12FN3O3S/c16-12-5-1-3-7-14(12)19-10-11(9-17-19)23(21,22)18-13-6-2-4-8-15(13)20/h1-10,18,20H
InChIKeyQKWXOGKJCYOUHR-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide (PubChem CID 71860436) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide
PubChem CID71860436
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H12FN3O3S/c16-12-5-1-3-7-14(12)19-10-11(9-17-19)23(21,22)18-13-6-2-4-8-15(13)20/h1-10,18,20H
InChIKeyQKWXOGKJCYOUHR-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide (CID 71860436) is 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is QKWXOGKJCYOUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-12-5-1-3-7-14(12)19-10-11(9-17-19)23(21,22)18-13-6-2-4-8-15(13)20/h1-10,18,20H.
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71860436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).