2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone

C14H11ClO3S — CID 586971

IUPAC2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyKZACHGLUJYSTGQ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.00
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone

2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone (PubChem CID 586971) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone
PubChem CID586971
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyKZACHGLUJYSTGQ-UHFFFAOYSA-N
XLogP3.00
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone (CID 586971) is 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone?
The InChIKey is KZACHGLUJYSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone?
2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone has a molecular weight of 294.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 586971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).