1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide

C11H12ClFN4O2S — CID 71850792

IUPAC1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN4O2S/c1-17-7-14-16-11(17)5-15-20(18,19)6-8-4-9(12)2-3-10(8)13/h2-4,7,15H,5-6H2,1H3
InChIKeyTUKLATHZNJLNJK-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.23
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 71850792) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID71850792
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN4O2S/c1-17-7-14-16-11(17)5-15-20(18,19)6-8-4-9(12)2-3-10(8)13/h2-4,7,15H,5-6H2,1H3
InChIKeyTUKLATHZNJLNJK-UHFFFAOYSA-N
XLogP1.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide 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-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 71850792) is 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is Cn1cnnc1CNS(=O)(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is TUKLATHZNJLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-17-7-14-16-11(17)5-15-20(18,19)6-8-4-9(12)2-3-10(8)13/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71850792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).