2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide

C17H15ClF3N5O3S — CID 42923743

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H15ClF3N5O3S/c1-10(25-30(28,29)13-5-3-12(18)4-6-13)16(27)22-8-15-24-23-14-7-2-11(9-26(14)15)17(19,20)21/h2-7,9-10,25H,8H2,1H3,(H,22,27)
InChIKeyUGZDZXMIVBHNJO-UHFFFAOYSA-N
MW461.85 g/mol
LogP2.38
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (PubChem CID 42923743) has the molecular formula C17H15ClF3N5O3S and a molecular weight of 461.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
PubChem CID42923743
Molecular FormulaC17H15ClF3N5O3S
Molecular Weight461.85 g/mol
Exact Mass461.05
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C17H15ClF3N5O3S/c1-10(25-30(28,29)13-5-3-12(18)4-6-13)16(27)22-8-15-24-23-14-7-2-11(9-26(14)15)17(19,20)21/h2-7,9-10,25H,8H2,1H3,(H,22,27)
InChIKeyUGZDZXMIVBHNJO-UHFFFAOYSA-N
XLogP2.38
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(trifluoromethyl)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 16571785
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 16571776
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 18126401
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide (CID 42923743) is 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
The InChIKey is UGZDZXMIVBHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O3S/c1-10(25-30(28,29)13-5-3-12(18)4-6-13)16(27)22-8-15-24-23-14-7-2-11(9-26(14)15)17(19,20)21/h2-7,9-10,25H,8H2,1H3,(H,22,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide has a molecular weight of 461.85 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 42923743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).