3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

C20H15ClN4O3S — CID 155550044

IUPAC3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)17-7-3-4-13(11-17)14-8-9-25-18(12-14)22-20(24-25)23-19(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,23,24,26)
InChIKeyAPFUSCVYCGOBMX-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.71
Rot. Bonds4

About 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide

3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (PubChem CID 155550044) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
PubChem CID155550044
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC Name3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H15ClN4O3S/c1-29(27,28)17-7-3-4-13(11-17)14-8-9-25-18(12-14)22-20(24-25)23-19(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,23,24,26)
InChIKeyAPFUSCVYCGOBMX-UHFFFAOYSA-N
XLogP3.71
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide (CID 155550044) is 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is CS(=O)(=O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1.
What is the InChIKey of 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
The InChIKey is APFUSCVYCGOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c1-29(27,28)17-7-3-4-13(11-17)14-8-9-25-18(12-14)22-20(24-25)23-19(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,23,24,26).
What are the key properties of 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide?
3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide has a molecular weight of 426.89 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 155550044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).