2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C15H11ClF3NOS — CID 7761217

IUPAC2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NOS/c16-11-6-2-4-8-13(11)22-9-14(21)20-12-7-3-1-5-10(12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyPXDJGUHZHMNYBE-UHFFFAOYSA-N
MW345.77 g/mol
LogP5.09
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7761217) has the molecular formula C15H11ClF3NOS and a molecular weight of 345.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7761217
Molecular FormulaC15H11ClF3NOS
Molecular Weight345.77 g/mol
Exact Mass345.02
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NOS/c16-11-6-2-4-8-13(11)22-9-14(21)20-12-7-3-1-5-10(12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyPXDJGUHZHMNYBE-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.77
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
CID 2554185
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7761217) is 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccccc1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PXDJGUHZHMNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NOS/c16-11-6-2-4-8-13(11)22-9-14(21)20-12-7-3-1-5-10(12)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 345.77 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7761217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).