4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C16H15ClN4O3S — CID 134014260

IUPAC4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCCc2nnc3ccccn23)ccc1Cl
InChIInChI=1S/C16H15ClN4O3S/c1-25(23,24)13-10-11(5-6-12(13)17)16(22)18-8-7-15-20-19-14-4-2-3-9-21(14)15/h2-6,9-10H,7-8H2,1H3,(H,18,22)
InChIKeyOUUZLDQXDBZGNQ-UHFFFAOYSA-N
MW378.84 g/mol
LogP1.76
Rot. Bonds5

About 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 134014260) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID134014260
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Name4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCCc2nnc3ccccn23)ccc1Cl
InChIInChI=1S/C16H15ClN4O3S/c1-25(23,24)13-10-11(5-6-12(13)17)16(22)18-8-7-15-20-19-14-4-2-3-9-21(14)15/h2-6,9-10H,7-8H2,1H3,(H,18,22)
InChIKeyOUUZLDQXDBZGNQ-UHFFFAOYSA-N
XLogP1.76
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279005
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
3-(methanesulfonamido)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 37212641
6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495
3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 46671326
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 25352878
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 134014260) is 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CS(=O)(=O)c1cc(C(=O)NCCc2nnc3ccccn23)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is OUUZLDQXDBZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c1-25(23,24)13-10-11(5-6-12(13)17)16(22)18-8-7-15-20-19-14-4-2-3-9-21(14)15/h2-6,9-10H,7-8H2,1H3,(H,18,22).
What are the key properties of 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 378.84 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 134014260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).