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

C10H8Cl2F3N5O3S — CID 134100068

IUPACN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCn1c(C(F)(F)F)nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C10H8Cl2F3N5O3S/c1-19-8(10(13,14)15)17-20(9(19)21)7-5(12)3-4(11)6(16-7)18-24(2,22)23/h3H,1-2H3,(H,16,18)
InChIKeyJRWLZCPUOHRUMQ-UHFFFAOYSA-N
MW406.17 g/mol
LogP1.66
Rot. Bonds3

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

N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 134100068) has the molecular formula C10H8Cl2F3N5O3S and a molecular weight of 406.17 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]methanesulfonamide.

Molecular Properties

Compound NameN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
PubChem CID134100068
Molecular FormulaC10H8Cl2F3N5O3S
Molecular Weight406.17 g/mol
Exact Mass404.97
IUPAC NameN-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCn1c(C(F)(F)F)nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C10H8Cl2F3N5O3S/c1-19-8(10(13,14)15)17-20(9(19)21)7-5(12)3-4(11)6(16-7)18-24(2,22)23/h3H,1-2H3,(H,16,18)
InChIKeyJRWLZCPUOHRUMQ-UHFFFAOYSA-N
XLogP1.66
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 51.66
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]methanesulfonamide 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-difluoro-2-pyridinyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 138634039
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-(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
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
2-[3-Chloro-6-(3-methyl-5-oxo-4-propyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-propyl-1,2,4-triazol-3-one
CID 134121409
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]methanesulfonamide?
The IUPAC name of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide (CID 134100068) is N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide.
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]methanesulfonamide?
The canonical SMILES for N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide is Cn1c(C(F)(F)F)nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c1=O.
What is the InChIKey of N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is JRWLZCPUOHRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3N5O3S/c1-19-8(10(13,14)15)17-20(9(19)21)7-5(12)3-4(11)6(16-7)18-24(2,22)23/h3H,1-2H3,(H,16,18).
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]methanesulfonamide?
N-[3,5-dichloro-6-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 406.17 g/mol, XLogP of 1.66, 3 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]methanesulfonamide is sourced from PubChem (CID 134100068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).