1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol

C17H17N3O3S — CID 111476962

IUPAC1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cn2cnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)15-9-7-13(8-10-15)16(21)11-20-12-18-17(19-20)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3
InChIKeyMDPHGQPREUVHLE-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol

1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 111476962) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
PubChem CID111476962
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cn2cnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)15-9-7-13(8-10-15)16(21)11-20-12-18-17(19-20)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3
InChIKeyMDPHGQPREUVHLE-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol 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-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol (CID 111476962) is 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol is CS(=O)(=O)c1ccc(C(O)Cn2cnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is MDPHGQPREUVHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)15-9-7-13(8-10-15)16(21)11-20-12-18-17(19-20)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 343.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 111476962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).