N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide

C16H15ClN4O2S — CID 67479223

IUPACN-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C=Cc1cccn2nc(Cl)nc12)S(C)(=O)=O
InChIInChI=1S/C16H15ClN4O2S/c1-20(24(2,22)23)14-8-4-3-6-12(14)9-10-13-7-5-11-21-15(13)18-16(17)19-21/h3-11H,1-2H3
InChIKeyLEVOBVDUCWFVOR-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.95
Rot. Bonds4

About N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide

N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 67479223) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide
PubChem CID67479223
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C=Cc1cccn2nc(Cl)nc12)S(C)(=O)=O
InChIInChI=1S/C16H15ClN4O2S/c1-20(24(2,22)23)14-8-4-3-6-12(14)9-10-13-7-5-11-21-15(13)18-16(17)19-21/h3-11H,1-2H3
InChIKeyLEVOBVDUCWFVOR-UHFFFAOYSA-N
XLogP2.95
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide (CID 67479223) is N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1C=Cc1cccn2nc(Cl)nc12)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is LEVOBVDUCWFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-20(24(2,22)23)14-8-4-3-6-12(14)9-10-13-7-5-11-21-15(13)18-16(17)19-21/h3-11H,1-2H3.
What are the key properties of N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide?
N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethenyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67479223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).