(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide

C15H13ClN4O2S — CID 78797891

IUPAC(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C15H13ClN4O2S/c16-13-6-4-12(5-7-13)8-10-23(21,22)17-11-15-19-18-14-3-1-2-9-20(14)15/h1-10,17H,11H2/b10-8+
InChIKeyKQPXOYUSIXNFNY-CSKARUKUSA-N
MW348.82 g/mol
LogP2.47
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide (PubChem CID 78797891) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
PubChem CID78797891
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C15H13ClN4O2S/c16-13-6-4-12(5-7-13)8-10-23(21,22)17-11-15-19-18-14-3-1-2-9-20(14)15/h1-10,17H,11H2/b10-8+
InChIKeyKQPXOYUSIXNFNY-CSKARUKUSA-N
XLogP2.47
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide 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

(E)-3-(4-chlorophenyl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 52827378
2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
CID 76924210
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 60652284
(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 17439947
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 86978022
5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61248732
[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191409
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide (CID 78797891) is (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1nnc2ccccn12.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide?
The InChIKey is KQPXOYUSIXNFNY-CSKARUKUSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-6-4-12(5-7-13)8-10-23(21,22)17-11-15-19-18-14-3-1-2-9-20(14)15/h1-10,17H,11H2/b10-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 78797891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).