N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide

C11H10Cl2F3N5O3S — CID 134121424

IUPACN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-n2nc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2F3N5O3S/c1-3-25(23,24)19-7-5(12)4-6(13)8(17-7)21-10(22)20(2)9(18-21)11(14,15)16/h4H,3H2,1-2H3,(H,17,19)
InChIKeyAYJKSINSCGJXSJ-UHFFFAOYSA-N
MW420.20 g/mol
LogP2.05
Rot. Bonds4

About N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide

N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide (PubChem CID 134121424) has the molecular formula C11H10Cl2F3N5O3S and a molecular weight of 420.20 g/mol. Its IUPAC name is N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide
PubChem CID134121424
Molecular FormulaC11H10Cl2F3N5O3S
Molecular Weight420.20 g/mol
Exact Mass418.98
IUPAC NameN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-n2nc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2F3N5O3S/c1-3-25(23,24)19-7-5(12)4-6(13)8(17-7)21-10(22)20(2)9(18-21)11(14,15)16/h4H,3H2,1-2H3,(H,17,19)
InChIKeyAYJKSINSCGJXSJ-UHFFFAOYSA-N
XLogP2.05
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Chloro-3,6-difluoropyridin-2-yl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 138634043
2-{3,5-dichloro-6-[(difluoromethyl)sulfanyl]-2-pyridinyl}-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56693293
N-{3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-2-pyridinyl}methanesulfonamide
CID 134087872
2-[3,5-dichloro-6-(2-propynylsulfanyl)-2-pyridinyl]-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 134092709
2-[3,5-dichloro-6-(dimethylamino)-2-pyridinyl]-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 134093210
5-(Difluoromethyl)-4-methyl-2-(3,5,6-trichloro-2-pyridinyl)-1,2,4-triazol-3-one
CID 134100066
N-[3,5-dichloro-6-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide
CID 134100067
N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
CID 134100068
5-Methyl-2-(3,5,6-trichloro-2-pyridinyl)-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 134104714
2-(6-Chloro-2-pyridinyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 134111185
4-Methyl-2-(3,5,6-trichloro-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 134120034
N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]propane-2-sulfonamide
CID 134121410

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide (CID 134121424) is N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(-n2nc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl.
What is the InChIKey of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide?
The InChIKey is AYJKSINSCGJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3N5O3S/c1-3-25(23,24)19-7-5(12)4-6(13)8(17-7)21-10(22)20(2)9(18-21)11(14,15)16/h4H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide?
N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide has a molecular weight of 420.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 134121424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).