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

C16H12F3N3O3S — CID 54770507

IUPAC4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15-9-14(10-2-1-3-12(23)8-10)22(21-15)11-4-6-13(7-5-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
InChIKeyYMVRMYZEYUEFRM-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.91
Rot. Bonds3

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

4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 54770507) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID54770507
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H12F3N3O3S/c17-16(18,19)15-9-14(10-2-1-3-12(23)8-10)22(21-15)11-4-6-13(7-5-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
InChIKeyYMVRMYZEYUEFRM-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 54770507) is 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(O)c2)cc1.
What is the InChIKey of 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YMVRMYZEYUEFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-16(18,19)15-9-14(10-2-1-3-12(23)8-10)22(21-15)11-4-6-13(7-5-11)26(20,24)25/h1-9,23H,(H2,20,24,25).
What are the key properties of 4-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3-hydroxyphenyl)-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-[5-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 54770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).