3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

C15H12ClF2NOS — CID 895642

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NOS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyFIDUJOGRAORYTC-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.74
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (PubChem CID 895642) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
PubChem CID895642
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NOS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyFIDUJOGRAORYTC-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (CID 895642) is 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The InChIKey is FIDUJOGRAORYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide has a molecular weight of 327.78 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 895642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).