2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide

C13H11ClN4O2S — CID 165423435

IUPAC2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc2ncnn12)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O2S/c14-11-5-1-2-6-12(11)21(19,20)17-8-10-4-3-7-13-15-9-16-18(10)13/h1-7,9,17H,8H2
InChIKeyRDFBLAXCOWIDFU-UHFFFAOYSA-N
MW322.78 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide

2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide (PubChem CID 165423435) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide
PubChem CID165423435
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc2ncnn12)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O2S/c14-11-5-1-2-6-12(11)21(19,20)17-8-10-4-3-7-13-15-9-16-18(10)13/h1-7,9,17H,8H2
InChIKeyRDFBLAXCOWIDFU-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 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide (CID 165423435) is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccc2ncnn12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide?
The InChIKey is RDFBLAXCOWIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-11-5-1-2-6-12(11)21(19,20)17-8-10-4-3-7-13-15-9-16-18(10)13/h1-7,9,17H,8H2.
What are the key properties of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide?
2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-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 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 165423435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).