N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

C16H14F3N5O3S2 — CID 31613122

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)cc1S(N)(=O)=O
InChIInChI=1S/C16H14F3N5O3S2/c1-9-2-4-11(6-12(9)29(20,26)27)21-14(25)8-28-15-23-22-13-5-3-10(7-24(13)15)16(17,18)19/h2-7H,8H2,1H3,(H,21,25)(H2,20,26,27)
InChIKeyZKFMSOCYTUBGQU-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.43
Rot. Bonds5

About N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (PubChem CID 31613122) has the molecular formula C16H14F3N5O3S2 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
PubChem CID31613122
Molecular FormulaC16H14F3N5O3S2
Molecular Weight445.45 g/mol
Exact Mass445.05
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)cc1S(N)(=O)=O
InChIInChI=1S/C16H14F3N5O3S2/c1-9-2-4-11(6-12(9)29(20,26)27)21-14(25)8-28-15-23-22-13-5-3-10(7-24(13)15)16(17,18)19/h2-7H,8H2,1H3,(H,21,25)(H2,20,26,27)
InChIKeyZKFMSOCYTUBGQU-UHFFFAOYSA-N
XLogP2.43
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 44773888
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31613124
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31611068
N-(4-methyl-3-sulfamoylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30502354
N-(4-bromo-3-methylphenyl)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 4029629
N-(2-chlorophenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31609768
N-(2-iodophenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31610582
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-carbamoyl-4-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
CID 47091870
N-(1-cyclopropylethyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 51335070
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50833345

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (CID 31613122) is N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The InChIKey is ZKFMSOCYTUBGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3S2/c1-9-2-4-11(6-12(9)29(20,26)27)21-14(25)8-28-15-23-22-13-5-3-10(7-24(13)15)16(17,18)19/h2-7H,8H2,1H3,(H,21,25)(H2,20,26,27).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide has a molecular weight of 445.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 31613122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).