3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C11H11ClF3NOS — CID 78780285

IUPAC3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCSc1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C11H11ClF3NOS/c12-8-3-1-2-4-9(8)18-6-5-10(17)16-7-11(13,14)15/h1-4H,5-7H2,(H,16,17)
InChIKeyAZWPXXRADXERTB-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.50
Rot. Bonds5

About 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78780285) has the molecular formula C11H11ClF3NOS and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78780285
Molecular FormulaC11H11ClF3NOS
Molecular Weight297.73 g/mol
Exact Mass297.02
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCSc1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C11H11ClF3NOS/c12-8-3-1-2-4-9(8)18-6-5-10(17)16-7-11(13,14)15/h1-4H,5-7H2,(H,16,17)
InChIKeyAZWPXXRADXERTB-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78780285) is 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCSc1ccccc1Cl)NCC(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AZWPXXRADXERTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NOS/c12-8-3-1-2-4-9(8)18-6-5-10(17)16-7-11(13,14)15/h1-4H,5-7H2,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 297.73 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78780285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).