2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone

C14H11ClO2S — CID 64636282

IUPAC2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeySLIMBRMUZFCRFF-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.33
Rot. Bonds4

About 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone

2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone (PubChem CID 64636282) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
PubChem CID64636282
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeySLIMBRMUZFCRFF-UHFFFAOYSA-N
XLogP3.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
2-(3-chlorophenyl)sulfinyl-1-(3-nitrophenyl)ethanone
CID 64635868
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
benzoic acid;3-chlorobenzoic acid
CID 162034638
1-(3-chlorophenyl)-2-(2-nitrophenyl)sulfinylethanone
CID 64640115
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone (CID 64636282) is 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone is O=C(CS(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone?
The InChIKey is SLIMBRMUZFCRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone?
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone has a molecular weight of 278.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 64636282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).