N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

C15H15ClN4O2S — CID 155534959

IUPACN-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2Cl)cn2c(C)nnc12
InChIInChI=1S/C15H15ClN4O2S/c1-3-23(21,22)19-14-8-11(12-6-4-5-7-13(12)16)9-20-10(2)17-18-15(14)20/h4-9,19H,3H2,1-2H3
InChIKeyQWILNFMQJZCSRL-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.12
Rot. Bonds4

About N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (PubChem CID 155534959) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
PubChem CID155534959
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC NameN-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccccc2Cl)cn2c(C)nnc12
InChIInChI=1S/C15H15ClN4O2S/c1-3-23(21,22)19-14-8-11(12-6-4-5-7-13(12)16)9-20-10(2)17-18-15(14)20/h4-9,19H,3H2,1-2H3
InChIKeyQWILNFMQJZCSRL-UHFFFAOYSA-N
XLogP3.12
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The IUPAC name of N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (CID 155534959) is N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccccc2Cl)cn2c(C)nnc12.
What is the InChIKey of N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The InChIKey is QWILNFMQJZCSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-3-23(21,22)19-14-8-11(12-6-4-5-7-13(12)16)9-20-10(2)17-18-15(14)20/h4-9,19H,3H2,1-2H3.
What are the key properties of N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 155534959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).