3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one

C16H14ClFO2S — CID 103291170

IUPAC3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCS(=O)Cc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFO2S/c17-15-4-2-1-3-13(15)11-21(20)10-9-16(19)12-5-7-14(18)8-6-12/h1-8H,9-11H2
InChIKeyGTSZWECRKTYQCZ-UHFFFAOYSA-N
MW324.80 g/mol
LogP4.00
Rot. Bonds6

About 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one

3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one (PubChem CID 103291170) has the molecular formula C16H14ClFO2S and a molecular weight of 324.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one
PubChem CID103291170
Molecular FormulaC16H14ClFO2S
Molecular Weight324.80 g/mol
Exact Mass324.04
IUPAC Name3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCS(=O)Cc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFO2S/c17-15-4-2-1-3-13(15)11-21(20)10-9-16(19)12-5-7-14(18)8-6-12/h1-8H,9-11H2
InChIKeyGTSZWECRKTYQCZ-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.80
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
6-[(2-chlorophenyl)methylsulfinyl]hexan-3-one
CID 106808641
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432360
3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 68742879
3-[(3-chloro-2-fluorophenyl)methylsulfinyl]propan-1-amine
CID 102864618
N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
CID 94795976
1-(2-chlorophenyl)-5-(4-fluorophenyl)pentane-1,3,5-trione
CID 10615548
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one (CID 103291170) is 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one is O=C(CCS(=O)Cc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is GTSZWECRKTYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2S/c17-15-4-2-1-3-13(15)11-21(20)10-9-16(19)12-5-7-14(18)8-6-12/h1-8H,9-11H2.
What are the key properties of 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one?
3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 324.80 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfinyl]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 103291170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).