2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide

C12H14Cl2N4O2S — CID 166316508

IUPAC2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C12H14Cl2N4O2S/c1-4-11-15-12(18(3)16-11)17-21(19,20)10-5-7(2)8(13)6-9(10)14/h5-6H,4H2,1-3H3,(H,15,16,17)
InChIKeyOIRWCFZNXJPMDH-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.79
Rot. Bonds4

About 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide (PubChem CID 166316508) has the molecular formula C12H14Cl2N4O2S and a molecular weight of 349.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
PubChem CID166316508
Molecular FormulaC12H14Cl2N4O2S
Molecular Weight349.24 g/mol
Exact Mass348.02
IUPAC Name2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C12H14Cl2N4O2S/c1-4-11-15-12(18(3)16-11)17-21(19,20)10-5-7(2)8(13)6-9(10)14/h5-6H,4H2,1-3H3,(H,15,16,17)
InChIKeyOIRWCFZNXJPMDH-UHFFFAOYSA-N
XLogP2.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
CID 4585560
2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide
CID 166336403
2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 163351549
4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 3835225
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 16644970
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
2,4-dichloro-5-methyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzenesulfonamide
CID 91819423
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 3647844
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474191

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide (CID 166316508) is 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide is CCc1nc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n(C)n1.
What is the InChIKey of 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide?
The InChIKey is OIRWCFZNXJPMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2S/c1-4-11-15-12(18(3)16-11)17-21(19,20)10-5-7(2)8(13)6-9(10)14/h5-6H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide has a molecular weight of 349.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 166316508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).