2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C19H20ClN5O3S — CID 27848577

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O3S/c20-16-8-7-14(29(27,28)24-9-3-1-4-10-24)12-15(16)19(26)21-13-18-23-22-17-6-2-5-11-25(17)18/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,21,26)
InChIKeyDBQXHPARVZLJIO-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.49
Rot. Bonds5

About 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 27848577) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID27848577
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O3S/c20-16-8-7-14(29(27,28)24-9-3-1-4-10-24)12-15(16)19(26)21-13-18-23-22-17-6-2-5-11-25(17)18/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,21,26)
InChIKeyDBQXHPARVZLJIO-UHFFFAOYSA-N
XLogP2.49
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide with MolForge

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 46671326
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021031
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387438
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 87043559
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 27848577) is 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is DBQXHPARVZLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c20-16-8-7-14(29(27,28)24-9-3-1-4-10-24)12-15(16)19(26)21-13-18-23-22-17-6-2-5-11-25(17)18/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,21,26).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 433.92 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 27848577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).