2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H9ClF3NOS — CID 78760294

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3NOS/c11-7-3-1-2-4-8(7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyBZCZGOHLUBPSNG-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78760294) has the molecular formula C10H9ClF3NOS and a molecular weight of 283.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78760294
Molecular FormulaC10H9ClF3NOS
Molecular Weight283.70 g/mol
Exact Mass283.00
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3NOS/c11-7-3-1-2-4-8(7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyBZCZGOHLUBPSNG-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2536502
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2567501
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
2-chloro-N-{2-[(4-chlorophenyl)thio]ethyl}acetamide
CID 3888339
2-((4-chlorophenyl)thio)-N-isobutylacetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
N-allyl-2-[(4-chlorophenyl)thio]propanamide
CID 2889882
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807
4-(3-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526345
4-(2-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526716
4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
CID 111483

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78760294) is 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccccc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BZCZGOHLUBPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NOS/c11-7-3-1-2-4-8(7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 283.70 g/mol, XLogP of 3.11, 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78760294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).