N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C21H19ClN4O2S — CID 53153357

IUPACN-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-2-16-8-10-19(11-9-16)26(14-17-5-3-6-18(22)13-17)29(27,28)20-7-4-12-25-15-23-24-21(20)25/h3-13,15H,2,14H2,1H3
InChIKeyPREMSTVXJBJFBL-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.34
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153357) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153357
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESCCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1
InChIInChI=1S/C21H19ClN4O2S/c1-2-16-8-10-19(11-9-16)26(14-17-5-3-6-18(22)13-17)29(27,28)20-7-4-12-25-15-23-24-21(20)25/h3-13,15H,2,14H2,1H3
InChIKeyPREMSTVXJBJFBL-UHFFFAOYSA-N
XLogP4.34
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153357) is N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is CCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is PREMSTVXJBJFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-2-16-8-10-19(11-9-16)26(14-17-5-3-6-18(22)13-17)29(27,28)20-7-4-12-25-15-23-24-21(20)25/h3-13,15H,2,14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).