2-(benzenesulfinyl)-2-chloro-1-phenylethanone

C14H11ClO2S — CID 10967872

IUPAC2-(benzenesulfinyl)-2-chloro-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)S(=O)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,14H
InChIKeyKJYKJKQUMZDQCN-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.24
Rot. Bonds4

About 2-(benzenesulfinyl)-2-chloro-1-phenylethanone

2-(benzenesulfinyl)-2-chloro-1-phenylethanone (PubChem CID 10967872) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-2-chloro-1-phenylethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-2-chloro-1-phenylethanone
PubChem CID10967872
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-(benzenesulfinyl)-2-chloro-1-phenylethanone
SMILESO=C(c1ccccc1)C(Cl)S(=O)c1ccccc1
InChIInChI=1S/C14H11ClO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,14H
InChIKeyKJYKJKQUMZDQCN-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-2-chloro-1-phenylethanone?
The IUPAC name of 2-(benzenesulfinyl)-2-chloro-1-phenylethanone (CID 10967872) is 2-(benzenesulfinyl)-2-chloro-1-phenylethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-2-chloro-1-phenylethanone?
The canonical SMILES for 2-(benzenesulfinyl)-2-chloro-1-phenylethanone is O=C(c1ccccc1)C(Cl)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-2-chloro-1-phenylethanone?
The InChIKey is KJYKJKQUMZDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c15-14(13(16)11-7-3-1-4-8-11)18(17)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 2-(benzenesulfinyl)-2-chloro-1-phenylethanone?
2-(benzenesulfinyl)-2-chloro-1-phenylethanone has a molecular weight of 278.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-2-chloro-1-phenylethanone is sourced from PubChem (CID 10967872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).