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

C13H11ClN4O2S — CID 53166635

IUPAC1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)Nc1cccn2cnnc12
InChIInChI=1S/C13H11ClN4O2S/c14-11-4-1-3-10(7-11)8-21(19,20)17-12-5-2-6-18-9-15-16-13(12)18/h1-7,9,17H,8H2
InChIKeyAVSQIJPJFZDTTR-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.32
Rot. Bonds4

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

1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide (PubChem CID 53166635) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide
PubChem CID53166635
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)Nc1cccn2cnnc12
InChIInChI=1S/C13H11ClN4O2S/c14-11-4-1-3-10(7-11)8-21(19,20)17-12-5-2-6-18-9-15-16-13(12)18/h1-7,9,17H,8H2
InChIKeyAVSQIJPJFZDTTR-UHFFFAOYSA-N
XLogP2.32
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide (CID 53166635) is 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)Nc1cccn2cnnc12.
What is the InChIKey of 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide?
The InChIKey is AVSQIJPJFZDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-11-4-1-3-10(7-11)8-21(19,20)17-12-5-2-6-18-9-15-16-13(12)18/h1-7,9,17H,8H2.
What are the key properties of 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide?
1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide is sourced from PubChem (CID 53166635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).