3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol

C15H10ClFN2O3S — CID 10360689

IUPAC3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccc(F)cc2)c(Cl)c1O
InChIInChI=1S/C15H10ClFN2O3S/c16-14-13(20)15(23(21,22)12-4-2-1-3-5-12)18-19(14)11-8-6-10(17)7-9-11/h1-9,20H
InChIKeyHETQGEBEMHAFEP-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.20
Rot. Bonds3

About 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol

3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol (PubChem CID 10360689) has the molecular formula C15H10ClFN2O3S and a molecular weight of 352.77 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol
PubChem CID10360689
Molecular FormulaC15H10ClFN2O3S
Molecular Weight352.77 g/mol
Exact Mass352.01
IUPAC Name3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccc(F)cc2)c(Cl)c1O
InChIInChI=1S/C15H10ClFN2O3S/c16-14-13(20)15(23(21,22)12-4-2-1-3-5-12)18-19(14)11-8-6-10(17)7-9-11/h1-9,20H
InChIKeyHETQGEBEMHAFEP-UHFFFAOYSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol (CID 10360689) is 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol is O=S(=O)(c1ccccc1)c1nn(-c2ccc(F)cc2)c(Cl)c1O.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol?
The InChIKey is HETQGEBEMHAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3S/c16-14-13(20)15(23(21,22)12-4-2-1-3-5-12)18-19(14)11-8-6-10(17)7-9-11/h1-9,20H.
What are the key properties of 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol?
3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol has a molecular weight of 352.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol is sourced from PubChem (CID 10360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).