5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide

C12H15BrN4O2S — CID 103354517

IUPAC5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C12H15BrN4O2S/c1-8-4-6-10(7-5-8)9(2)15-20(18,19)12-11(13)14-16-17(12)3/h4-7,9,15H,1-3H3
InChIKeyMCXIPNBHJWOXLH-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide

5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide (PubChem CID 103354517) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide
PubChem CID103354517
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C12H15BrN4O2S/c1-8-4-6-10(7-5-8)9(2)15-20(18,19)12-11(13)14-16-17(12)3/h4-7,9,15H,1-3H3
InChIKeyMCXIPNBHJWOXLH-UHFFFAOYSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide 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 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide (CID 103354517) is 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2c(Br)nnn2C)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide?
The InChIKey is MCXIPNBHJWOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8-4-6-10(7-5-8)9(2)15-20(18,19)12-11(13)14-16-17(12)3/h4-7,9,15H,1-3H3.
What are the key properties of 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide?
5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[1-(4-methylphenyl)ethyl]triazole-4-sulfonamide is sourced from PubChem (CID 103354517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).