4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

C13H11ClN4O2S — CID 9324244

IUPAC4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2
InChIKeyISUZHZMVDKLTKI-UHFFFAOYSA-N
MW322.78 g/mol
LogP1.86
Rot. Bonds4

About 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 9324244) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID9324244
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2
InChIKeyISUZHZMVDKLTKI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 9324244) is 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nnc2ccccn12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ISUZHZMVDKLTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2.
What are the key properties of 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9324244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).