1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C13H12ClF3N2O3S — CID 2809233

IUPAC1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESO=S(=O)(CC(O)Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClF3N2O3S/c14-9-1-3-11(4-2-9)23(21,22)8-10(20)7-19-6-5-12(18-19)13(15,16)17/h1-6,10,20H,7-8H2
InChIKeyKGUQYCKDZZWTHS-UHFFFAOYSA-N
MW368.76 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 2809233) has the molecular formula C13H12ClF3N2O3S and a molecular weight of 368.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID2809233
Molecular FormulaC13H12ClF3N2O3S
Molecular Weight368.76 g/mol
Exact Mass368.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESO=S(=O)(CC(O)Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClF3N2O3S/c14-9-1-3-11(4-2-9)23(21,22)8-10(20)7-19-6-5-12(18-19)13(15,16)17/h1-6,10,20H,7-8H2
InChIKeyKGUQYCKDZZWTHS-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol 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 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 2809233) is 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is O=S(=O)(CC(O)Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is KGUQYCKDZZWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O3S/c14-9-1-3-11(4-2-9)23(21,22)8-10(20)7-19-6-5-12(18-19)13(15,16)17/h1-6,10,20H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 368.76 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 2809233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).