4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one

C16H15ClO2S — CID 64635675

IUPAC4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
SMILESO=C(CCCS(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClO2S/c17-14-8-4-9-15(12-14)20(19)11-5-10-16(18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2
InChIKeyGCQPSXUOEWDHAD-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.11
Rot. Bonds6

About 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one

4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one (PubChem CID 64635675) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
PubChem CID64635675
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
SMILESO=C(CCCS(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClO2S/c17-14-8-4-9-15(12-14)20(19)11-5-10-16(18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2
InChIKeyGCQPSXUOEWDHAD-UHFFFAOYSA-N
XLogP4.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoic acid
CID 79620487
ethyl 3-(3-chlorophenyl)sulfinylpropanoate
CID 62645969
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
1,15-diphenylpentadecane-1,15-dione
CID 159981687
7-chloro-1-(3-chlorophenyl)heptan-1-one
CID 24723859
2-(3-chlorophenyl)sulfinyl-1-(3-nitrophenyl)ethanone
CID 64635868
2-[2-(3-chlorophenyl)sulfinylethyl]-1,3-dioxane
CID 66474774
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884
benzoic acid;3-chlorobenzoic acid
CID 162034638

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one?
The IUPAC name of 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one (CID 64635675) is 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one.
What is the SMILES notation for 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one?
The canonical SMILES for 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one is O=C(CCCS(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one?
The InChIKey is GCQPSXUOEWDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c17-14-8-4-9-15(12-14)20(19)11-5-10-16(18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one?
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one has a molecular weight of 306.81 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one is sourced from PubChem (CID 64635675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).