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

C10H9Cl2F2N5O3S — CID 134087872

IUPACN-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCc1nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C10H9Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3,(H,15,17)
InChIKeySMAORNFOLNEGKT-UHFFFAOYSA-N
MW388.18 g/mol
LogP1.81
Rot. Bonds4

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

N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 134087872) has the molecular formula C10H9Cl2F2N5O3S and a molecular weight of 388.18 g/mol. Its IUPAC name is N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
PubChem CID134087872
Molecular FormulaC10H9Cl2F2N5O3S
Molecular Weight388.18 g/mol
Exact Mass386.98
IUPAC NameN-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCc1nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C10H9Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3,(H,15,17)
InChIKeySMAORNFOLNEGKT-UHFFFAOYSA-N
XLogP1.81
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide (CID 134087872) is N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide is Cc1nn(-c2nc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is SMAORNFOLNEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3,(H,15,17).
What are the key properties of N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide?
N-[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 388.18 g/mol, XLogP of 1.81, 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-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 134087872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).