N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide

C16H9Cl2F3N4O4S — CID 155193211

IUPACN-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C16H9Cl2F3N4O4S/c17-9-2-1-3-10(18)13(9)25-30(27,28)7-12(26)11-5-4-8(6-22-11)14-23-15(29-24-14)16(19,20)21/h1-6,25H,7H2
InChIKeyTVMVUYPUVRWOCL-UHFFFAOYSA-N
MW481.24 g/mol
LogP4.08
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide

N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide (PubChem CID 155193211) has the molecular formula C16H9Cl2F3N4O4S and a molecular weight of 481.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide
PubChem CID155193211
Molecular FormulaC16H9Cl2F3N4O4S
Molecular Weight481.24 g/mol
Exact Mass479.97
IUPAC NameN-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide
SMILESO=C(CS(=O)(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C16H9Cl2F3N4O4S/c17-9-2-1-3-10(18)13(9)25-30(27,28)7-12(26)11-5-4-8(6-22-11)14-23-15(29-24-14)16(19,20)21/h1-6,25H,7H2
InChIKeyTVMVUYPUVRWOCL-UHFFFAOYSA-N
XLogP4.08
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone
CID 155192945
2-(2,6-dichlorophenyl)sulfanyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193360
1-(5-methyl-2-pyridinyl)-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 176889416
1-[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(2,6-dichloroanilino)ethanone
CID 155708509
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
2-(2,6-dichlorophenoxy)-1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155708494
2,6-dichloro-N-[[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl-ethoxyphosphoryl]aniline
CID 162734297
2-chloro-N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]benzamide
CID 155768845
N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 75420058
2-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]naphthalen-1-yl]acetic acid
CID 67881091
N-(2-methylpropylsulfonyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86812997
2-benzylsulfonyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 155193335

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide (CID 155193211) is N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide is O=C(CS(=O)(=O)Nc1c(Cl)cccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide?
The InChIKey is TVMVUYPUVRWOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O4S/c17-9-2-1-3-10(18)13(9)25-30(27,28)7-12(26)11-5-4-8(6-22-11)14-23-15(29-24-14)16(19,20)21/h1-6,25H,7H2.
What are the key properties of N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide?
N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide has a molecular weight of 481.24 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-oxo-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 155193211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).