3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide

C13H14F3N3O3S — CID 127267166

IUPAC3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)n1ccc(NS(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3O3S/c1-8(2)19-4-3-12(17-19)18-23(21,22)11-6-9(13(14,15)16)5-10(20)7-11/h3-8,20H,1-2H3,(H,17,18)
InChIKeyHDWRKFZYSOQRCM-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.99
Rot. Bonds4

About 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide

3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 127267166) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID127267166
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)n1ccc(NS(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3O3S/c1-8(2)19-4-3-12(17-19)18-23(21,22)11-6-9(13(14,15)16)5-10(20)7-11/h3-8,20H,1-2H3,(H,17,18)
InChIKeyHDWRKFZYSOQRCM-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 127267166) is 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide is CC(C)n1ccc(NS(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HDWRKFZYSOQRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-8(2)19-4-3-12(17-19)18-23(21,22)11-6-9(13(14,15)16)5-10(20)7-11/h3-8,20H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide?
3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 127267166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).