2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide

C15H11ClN4O2S — CID 9262805

IUPAC2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H11ClN4O2S/c16-11-6-2-1-5-10(11)14(22)17-13(21)9-23-15-19-18-12-7-3-4-8-20(12)15/h1-8H,9H2,(H,17,21,22)
InChIKeyKXBBEVUQNZIPMX-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide

2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide (PubChem CID 9262805) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
PubChem CID9262805
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H11ClN4O2S/c16-11-6-2-1-5-10(11)14(22)17-13(21)9-23-15-19-18-12-7-3-4-8-20(12)15/h1-8H,9H2,(H,17,21,22)
InChIKeyKXBBEVUQNZIPMX-UHFFFAOYSA-N
XLogP2.43
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The IUPAC name of 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide (CID 9262805) is 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide is O=C(CSc1nnc2ccccn12)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
The InChIKey is KXBBEVUQNZIPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c16-11-6-2-1-5-10(11)14(22)17-13(21)9-23-15-19-18-12-7-3-4-8-20(12)15/h1-8H,9H2,(H,17,21,22).
What are the key properties of 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide?
2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide has a molecular weight of 346.80 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 9262805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).