4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H12F3N3O3S — CID 10738721

IUPAC4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(O)c2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15-14(23)13(10-4-2-1-3-5-10)22(21-15)11-6-8-12(9-7-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
InChIKeyBCKFRHIUIGWJAH-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.91
Rot. Bonds3

About 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10738721) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10738721
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(O)c2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15-14(23)13(10-4-2-1-3-5-10)22(21-15)11-6-8-12(9-7-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
InChIKeyBCKFRHIUIGWJAH-UHFFFAOYSA-N
XLogP2.91
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxy-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10524857
1-(4-Aminosulfonylphenyl)-3-(4-hydroxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15g)
CID 136961753
4-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 71578903
4-[5-(3-Hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56666807
4-[5-(2-Hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135981706
4-[5-(4-Hydroxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 135532444
4-[4-Hydroxy-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 129850425
[5-Phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl] methanesulfonate
CID 138965686
4-[5-(4-Hydroperoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 162404437
4-[4-hydroxymethyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
CID 12082825
4-[5-(4-Fluorophenyl)-3-(3-hydroxypropyl)pyrazol-1-yl]benzenesulfonamide
CID 15293125
4-[4-(4-Hydroxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19041284

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10738721) is 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(O)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BCKFRHIUIGWJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)15-14(23)13(10-4-2-1-3-5-10)22(21-15)11-6-8-12(9-7-11)26(20,24)25/h1-9,23H,(H2,20,24,25).
What are the key properties of 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10738721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).