N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

C16H15F3N4O3S — CID 155679982

IUPACN-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)cn2c(C)nnc12
InChIInChI=1S/C16H15F3N4O3S/c1-3-27(24,25)22-14-8-12(9-23-10(2)20-21-15(14)23)11-5-4-6-13(7-11)26-16(17,18)19/h4-9,22H,3H2,1-2H3
InChIKeyOLHWAESVQODNEU-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.36
Rot. Bonds5

About N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide

N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (PubChem CID 155679982) has the molecular formula C16H15F3N4O3S and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
PubChem CID155679982
Molecular FormulaC16H15F3N4O3S
Molecular Weight400.38 g/mol
Exact Mass400.08
IUPAC NameN-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)cn2c(C)nnc12
InChIInChI=1S/C16H15F3N4O3S/c1-3-27(24,25)22-14-8-12(9-23-10(2)20-21-15(14)23)11-5-4-6-13(7-11)26-16(17,18)19/h4-9,22H,3H2,1-2H3
InChIKeyOLHWAESVQODNEU-UHFFFAOYSA-N
XLogP3.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 171393233
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine
CID 167692317
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide
CID 143826022
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The IUPAC name of N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide (CID 155679982) is N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)cn2c(C)nnc12.
What is the InChIKey of N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
The InChIKey is OLHWAESVQODNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3S/c1-3-27(24,25)22-14-8-12(9-23-10(2)20-21-15(14)23)11-5-4-6-13(7-11)26-16(17,18)19/h4-9,22H,3H2,1-2H3.
What are the key properties of N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide?
N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide has a molecular weight of 400.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide is sourced from PubChem (CID 155679982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).