N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide

C15H10Cl2F3NO2S — CID 1488228

IUPACN-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide
SMILESO=C(CS(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2S/c16-10-4-5-13(12(17)7-10)21-14(22)8-24(23)11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyAUBZSYNZVZOFKA-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.76
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide

N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide (PubChem CID 1488228) has the molecular formula C15H10Cl2F3NO2S and a molecular weight of 396.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide
PubChem CID1488228
Molecular FormulaC15H10Cl2F3NO2S
Molecular Weight396.22 g/mol
Exact Mass394.98
IUPAC NameN-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide
SMILESO=C(CS(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2S/c16-10-4-5-13(12(17)7-10)21-14(22)8-24(23)11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyAUBZSYNZVZOFKA-UHFFFAOYSA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfonyl}acetamide
CID 1488185
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 25181480
2-[(2-chlorobenzyl)sulfinyl]-N-(2-chlorophenyl)acetamide
CID 3825971
N-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}acetamide
CID 1488207
N-(2-chlorophenyl)-2-[(4-fluorophenyl)sulfinyl]acetamide
CID 5192359
2-{[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl}-N-(4-fluorophenyl)acetamide
CID 1269757
2-((4-chlorophenyl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 802653
2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2726066

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide (CID 1488228) is N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide is O=C(CS(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide?
The InChIKey is AUBZSYNZVZOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2S/c16-10-4-5-13(12(17)7-10)21-14(22)8-24(23)11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide?
N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide has a molecular weight of 396.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfinylacetamide is sourced from PubChem (CID 1488228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).