4-(benzenesulfonyl)-1,2-dichlorobenzene

C12H8Cl2O2S — CID 677031

IUPAC4-(benzenesulfonyl)-1,2-dichlorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2S/c13-11-7-6-10(8-12(11)14)17(15,16)9-4-2-1-3-5-9/h1-8H
InChIKeyZJCAPFUTIZDMBS-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.83
Rot. Bonds2

About 4-(benzenesulfonyl)-1,2-dichlorobenzene

4-(benzenesulfonyl)-1,2-dichlorobenzene (PubChem CID 677031) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1,2-dichlorobenzene
PubChem CID677031
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name4-(benzenesulfonyl)-1,2-dichlorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2S/c13-11-7-6-10(8-12(11)14)17(15,16)9-4-2-1-3-5-9/h1-8H
InChIKeyZJCAPFUTIZDMBS-UHFFFAOYSA-N
XLogP3.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1,2-dichlorobenzene?
The IUPAC name of 4-(benzenesulfonyl)-1,2-dichlorobenzene (CID 677031) is 4-(benzenesulfonyl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(benzenesulfonyl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(benzenesulfonyl)-1,2-dichlorobenzene is O=S(=O)(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonyl)-1,2-dichlorobenzene?
The InChIKey is ZJCAPFUTIZDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-11-7-6-10(8-12(11)14)17(15,16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-(benzenesulfonyl)-1,2-dichlorobenzene?
4-(benzenesulfonyl)-1,2-dichlorobenzene has a molecular weight of 287.17 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1,2-dichlorobenzene is sourced from PubChem (CID 677031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).