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

C22H16F3N3O3S — CID 19041379

IUPAC4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)c(C(F)(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H16F3N3O3S/c23-22(24,25)21-19(14-4-2-1-3-5-14)20(15-6-12-18(13-7-15)32(26,30)31)28(27-21)16-8-10-17(29)11-9-16/h1-13,29H,(H2,26,30,31)
InChIKeyRUECREYSAALSAM-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.58
Rot. Bonds4

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

4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 19041379) has the molecular formula C22H16F3N3O3S and a molecular weight of 459.45 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID19041379
Molecular FormulaC22H16F3N3O3S
Molecular Weight459.45 g/mol
Exact Mass459.09
IUPAC Name4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)c(C(F)(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H16F3N3O3S/c23-22(24,25)21-19(14-4-2-1-3-5-14)20(15-6-12-18(13-7-15)32(26,30)31)28(27-21)16-8-10-17(29)11-9-16/h1-13,29H,(H2,26,30,31)
InChIKeyRUECREYSAALSAM-UHFFFAOYSA-N
XLogP4.58
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 19041379) is 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)c(C(F)(F)F)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is RUECREYSAALSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3S/c23-22(24,25)21-19(14-4-2-1-3-5-14)20(15-6-12-18(13-7-15)32(26,30)31)28(27-21)16-8-10-17(29)11-9-16/h1-13,29H,(H2,26,30,31).
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 459.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19041379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).