1-chloro-4-(4-chlorophenyl)sulfonylbenzene

C12H8Cl2O2S — CID 6625

IUPAC1-chloro-4-(4-chlorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyGPAPPPVRLPGFEQ-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.83
Rot. Bonds2

About 1-chloro-4-(4-chlorophenyl)sulfonylbenzene

1-chloro-4-(4-chlorophenyl)sulfonylbenzene (PubChem CID 6625) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)sulfonylbenzene
PubChem CID6625
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name1-chloro-4-(4-chlorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKeyGPAPPPVRLPGFEQ-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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Related Compounds

Sulphenone
CID 6621
1-Chloro-4-(methylsulfonyl)benzene
CID 7395
4-Chlorobenzenesulfonyl chloride
CID 7398
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
Benzene, 1-chloro-3-(phenylthio)-
CID 97584
1,1'-Sulfinylbis(4-chlorobenzene)
CID 18329
Bis(4-chlorophenyl) sulfide
CID 78854
1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
CID 27745
1-Chloro-4-(ethenylsulfonyl)benzene
CID 21703
3,3',4,4'-Tetrachlorodiphenyl sulfone
CID 257524
1-Chloro-4-(phenylsulfinyl)benzene
CID 120885
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene (CID 6625) is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene is O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene?
The InChIKey is GPAPPPVRLPGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene?
1-chloro-4-(4-chlorophenyl)sulfonylbenzene 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 1-chloro-4-(4-chlorophenyl)sulfonylbenzene is sourced from PubChem (CID 6625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).