2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

C15H13ClFNOS — CID 2896481

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13ClFNOS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19)
InChIKeyNYLVFJLCDJMJEU-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 2896481) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID2896481
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13ClFNOS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19)
InChIKeyNYLVFJLCDJMJEU-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide (CID 2896481) is 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is NYLVFJLCDJMJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-10(20-12-8-6-11(16)7-9-12)15(19)18-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 309.79 g/mol, XLogP of 4.60, 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-fluorophenyl)propanamide is sourced from PubChem (CID 2896481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).