3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide

C12H13Cl2F3N2O2S — CID 141019258

IUPAC3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide
SMILESCS(=O)C(C)(CN)C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13Cl2F3N2O2S/c1-11(5-18,22(2)21)10(20)19-9-7(13)3-6(4-8(9)14)12(15,16)17/h3-4H,5,18H2,1-2H3,(H,19,20)
InChIKeyMMYWMYLAXHDIDF-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide

3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide (PubChem CID 141019258) has the molecular formula C12H13Cl2F3N2O2S and a molecular weight of 377.22 g/mol. Its IUPAC name is 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide
PubChem CID141019258
Molecular FormulaC12H13Cl2F3N2O2S
Molecular Weight377.22 g/mol
Exact Mass376.00
IUPAC Name3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide
SMILESCS(=O)C(C)(CN)C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13Cl2F3N2O2S/c1-11(5-18,22(2)21)10(20)19-9-7(13)3-6(4-8(9)14)12(15,16)17/h3-4H,5,18H2,1-2H3,(H,19,20)
InChIKeyMMYWMYLAXHDIDF-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 130275796
N-(4-bromo-2,6-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287359
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 130274641
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
CID 171030308
ethyl 3,5-dichloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 2797906
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide?
The IUPAC name of 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide (CID 141019258) is 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide.
What is the SMILES notation for 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide?
The canonical SMILES for 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide is CS(=O)C(C)(CN)C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide?
The InChIKey is MMYWMYLAXHDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3N2O2S/c1-11(5-18,22(2)21)10(20)19-9-7(13)3-6(4-8(9)14)12(15,16)17/h3-4H,5,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide?
3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide has a molecular weight of 377.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfinylpropanamide is sourced from PubChem (CID 141019258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).