2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C15H11ClF3NOS — CID 802653

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NOS/c16-10-5-7-11(8-6-10)22-9-14(21)20-13-4-2-1-3-12(13)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyAYEAELDAKZPWAG-UHFFFAOYSA-N
MW345.77 g/mol
LogP5.09
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 802653) has the molecular formula C15H11ClF3NOS and a molecular weight of 345.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID802653
Molecular FormulaC15H11ClF3NOS
Molecular Weight345.77 g/mol
Exact Mass345.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NOS/c16-10-5-7-11(8-6-10)22-9-14(21)20-13-4-2-1-3-12(13)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyAYEAELDAKZPWAG-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-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
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-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 1488228
2-(4-chlorophenyl)-N-[4-(difluoromethylthio)phenyl]acetamide
CID 2409755
N-2-biphenylyl-2-[(4-chlorophenyl)thio]propanamide
CID 2942743
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983046
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 25181480
N1-[4-(1,3-dithiolan-2-yl)phenyl]-2-[(4-chlorophenyl)thio]acetamide
CID 2819052

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 802653) is 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AYEAELDAKZPWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NOS/c16-10-5-7-11(8-6-10)22-9-14(21)20-13-4-2-1-3-12(13)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-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-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 802653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).