3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole

C11H10ClN3O2S — CID 58503801

IUPAC3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole
SMILESCS(=O)(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-
InChIKeyUVHBVLUHLRYKIF-WAYWQWQTSA-N
MW283.74 g/mol
LogP2.07
Rot. Bonds3

About 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole

3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole (PubChem CID 58503801) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole
PubChem CID58503801
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole
SMILESCS(=O)(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-
InChIKeyUVHBVLUHLRYKIF-WAYWQWQTSA-N
XLogP2.07
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole 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-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole (CID 58503801) is 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole is CS(=O)(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole?
The InChIKey is UVHBVLUHLRYKIF-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-18(16,17)6-5-15-8-13-11(14-15)9-3-2-4-10(12)7-9/h2-8H,1H3/b6-5-.
What are the key properties of 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole?
3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole has a molecular weight of 283.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(Z)-2-methylsulfonylethenyl]-1,2,4-triazole is sourced from PubChem (CID 58503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).