N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C16H14Cl2F3N3O3S2 — CID 4305177

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2F3N3O3S2/c1-24(2)29(26,27)13-6-10(3-4-11(13)17)23-14(25)8-28-15-12(18)5-9(7-22-15)16(19,20)21/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyWFHVXPFZAOBTNU-UHFFFAOYSA-N
MW488.34 g/mol
LogP4.39
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 4305177) has the molecular formula C16H14Cl2F3N3O3S2 and a molecular weight of 488.34 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID4305177
Molecular FormulaC16H14Cl2F3N3O3S2
Molecular Weight488.34 g/mol
Exact Mass486.98
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2F3N3O3S2/c1-24(2)29(26,27)13-6-10(3-4-11(13)17)23-14(25)8-28-15-12(18)5-9(7-22-15)16(19,20)21/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyWFHVXPFZAOBTNU-UHFFFAOYSA-N
XLogP4.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone
CID 2102778
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3594010
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4834371
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 4540899
2-[[3,5-bis(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2745328
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4157635
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4352932
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 5236958
N-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991864
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991880
N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide
CID 2107692

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 4305177) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is WFHVXPFZAOBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3N3O3S2/c1-24(2)29(26,27)13-6-10(3-4-11(13)17)23-14(25)8-28-15-12(18)5-9(7-22-15)16(19,20)21/h3-7H,8H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 488.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 4305177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).