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

C15H11ClF2O2S — CID 64637415

IUPAC2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2O2S/c1-9(21(20)12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3
InChIKeyOKTRBLVBDBAGTQ-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.00
Rot. Bonds4

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

2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one (PubChem CID 64637415) has the molecular formula C15H11ClF2O2S and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
PubChem CID64637415
Molecular FormulaC15H11ClF2O2S
Molecular Weight328.77 g/mol
Exact Mass328.01
IUPAC Name2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2O2S/c1-9(21(20)12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3
InChIKeyOKTRBLVBDBAGTQ-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64638736
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
2-(4-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303324
1-chloro-4-[(1S)-1-chloroethyl]sulfinylbenzene
CID 102076645
2-(3,4-difluorophenyl)sulfinyl-3-methylbutanoic acid
CID 61302958
2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
CID 64637609
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62930219

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one (CID 64637415) is 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one is CC(C(=O)c1ccc(F)c(F)c1)S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one?
The InChIKey is OKTRBLVBDBAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2S/c1-9(21(20)12-5-3-11(16)4-6-12)15(19)10-2-7-13(17)14(18)8-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one?
2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one has a molecular weight of 328.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 64637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).