2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone

C14H10Cl2O3S — CID 1483443

IUPAC2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c15-12-7-6-10(8-13(12)16)14(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyLZBIUNZNOUZDPA-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.65
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone

2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 1483443) has the molecular formula C14H10Cl2O3S and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID1483443
Molecular FormulaC14H10Cl2O3S
Molecular Weight329.20 g/mol
Exact Mass327.97
IUPAC Name2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c15-12-7-6-10(8-13(12)16)14(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyLZBIUNZNOUZDPA-UHFFFAOYSA-N
XLogP3.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone (CID 1483443) is 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is LZBIUNZNOUZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3S/c15-12-7-6-10(8-13(12)16)14(17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone?
2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 329.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 1483443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).