N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide

C11H12ClF3N4O2S — CID 23474250

IUPACN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12
InChIInChI=1S/C11H12ClF3N4O2S/c1-2-22(20,21)16-4-3-9-17-18-10-8(11(13,14)15)5-7(12)6-19(9)10/h5-6,16H,2-4H2,1H3
InChIKeyNFDPMGIQDGDGRB-UHFFFAOYSA-N
MW356.76 g/mol
LogP1.88
Rot. Bonds5

About N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide

N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide (PubChem CID 23474250) has the molecular formula C11H12ClF3N4O2S and a molecular weight of 356.76 g/mol. Its IUPAC name is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide
PubChem CID23474250
Molecular FormulaC11H12ClF3N4O2S
Molecular Weight356.76 g/mol
Exact Mass356.03
IUPAC NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12
InChIInChI=1S/C11H12ClF3N4O2S/c1-2-22(20,21)16-4-3-9-17-18-10-8(11(13,14)15)5-7(12)6-19(9)10/h5-6,16H,2-4H2,1H3
InChIKeyNFDPMGIQDGDGRB-UHFFFAOYSA-N
XLogP1.88
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
CID 3805723
8-Chloro-3-(difluoromethyl)-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1489122
8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 1483826
N-[6-(2-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155534959
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3568693
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzenesulfonamide
CID 7693535
[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine hydrochloride
CID 16258780
1-(8-Chloro-6-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridin-3-yl)ethan-1-amine
CID 16457787
1-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanesulfonamide
CID 53166635
8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 3746785
[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 7131258
(1S)-1-[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethan-1-amine
CID 7131386

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide (CID 23474250) is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12.
What is the InChIKey of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide?
The InChIKey is NFDPMGIQDGDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O2S/c1-2-22(20,21)16-4-3-9-17-18-10-8(11(13,14)15)5-7(12)6-19(9)10/h5-6,16H,2-4H2,1H3.
What are the key properties of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide?
N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 356.76 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 23474250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).