3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide

C15H20N4O3S — CID 14879256

IUPAC3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cnc(S(=O)(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C15H20N4O3S/c1-5-18(6-2)15(20)19-10-16-14(17-19)23(21,22)13-9-7-8-11(3)12(13)4/h7-10H,5-6H2,1-4H3
InChIKeyYPHPNVNZIULKFA-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.04
Rot. Bonds4

About 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide

3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide (PubChem CID 14879256) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide
PubChem CID14879256
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cnc(S(=O)(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C15H20N4O3S/c1-5-18(6-2)15(20)19-10-16-14(17-19)23(21,22)13-9-7-8-11(3)12(13)4/h7-10H,5-6H2,1-4H3
InChIKeyYPHPNVNZIULKFA-UHFFFAOYSA-N
XLogP2.04
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide 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-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide (CID 14879256) is 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide is CCN(CC)C(=O)n1cnc(S(=O)(=O)c2cccc(C)c2C)n1.
What is the InChIKey of 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide?
The InChIKey is YPHPNVNZIULKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-18(6-2)15(20)19-10-16-14(17-19)23(21,22)13-9-7-8-11(3)12(13)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide?
3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14879256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).