1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one

C15H11ClF2OS — CID 82920301

IUPAC1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF2OS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2
InChIKeyDJRPOKALGYJRQZ-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.52
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one

1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one (PubChem CID 82920301) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
PubChem CID82920301
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF2OS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2
InChIKeyDJRPOKALGYJRQZ-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one 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

1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 82919520
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895
1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66145989
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(3-bromophenyl)sulfanyl-3-(3,4-dichlorophenyl)propan-2-one
CID 66144514
1-(4-chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 107884016

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one (CID 82920301) is 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one is O=C(CSc1cccc(Cl)c1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one?
The InChIKey is DJRPOKALGYJRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c16-11-2-1-3-13(8-11)20-9-12(19)6-10-4-5-14(17)15(18)7-10/h1-5,7-8H,6,9H2.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one?
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one has a molecular weight of 312.77 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 82920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).