1-(benzenesulfonyl)-4-chlorobenzene

C12H9ClO2S — CID 6621

IUPAC1-(benzenesulfonyl)-4-chlorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKeyOFCFYWOKHPOXKF-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.17
Rot. Bonds2

About 1-(benzenesulfonyl)-4-chlorobenzene

1-(benzenesulfonyl)-4-chlorobenzene (PubChem CID 6621) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-chlorobenzene
PubChem CID6621
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name1-(benzenesulfonyl)-4-chlorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKeyOFCFYWOKHPOXKF-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dichlorodiphenyl sulfone
CID 6625
Diphenyl sulfone
CID 31386
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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-chlorobenzene?
The IUPAC name of 1-(benzenesulfonyl)-4-chlorobenzene (CID 6621) is 1-(benzenesulfonyl)-4-chlorobenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-chlorobenzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-chlorobenzene is O=S(=O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-chlorobenzene?
The InChIKey is OFCFYWOKHPOXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-4-chlorobenzene?
1-(benzenesulfonyl)-4-chlorobenzene has a molecular weight of 252.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-chlorobenzene is sourced from PubChem (CID 6621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).