3-(4-chlorophenyl)benzenesulfonyl chloride

C12H8Cl2O2S — CID 3502760

IUPAC3-(4-chlorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8Cl2O2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H
InChIKeyYSBBMXATUMXJMU-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.93
Rot. Bonds2

About 3-(4-chlorophenyl)benzenesulfonyl chloride

3-(4-chlorophenyl)benzenesulfonyl chloride (PubChem CID 3502760) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is 3-(4-chlorophenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)benzenesulfonyl chloride
PubChem CID3502760
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name3-(4-chlorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8Cl2O2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H
InChIKeyYSBBMXATUMXJMU-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)benzenesulfonyl chloride?
The IUPAC name of 3-(4-chlorophenyl)benzenesulfonyl chloride (CID 3502760) is 3-(4-chlorophenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-chlorophenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-chlorophenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)benzenesulfonyl chloride?
The InChIKey is YSBBMXATUMXJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(14,15)16/h1-8H.
What are the key properties of 3-(4-chlorophenyl)benzenesulfonyl chloride?
3-(4-chlorophenyl)benzenesulfonyl chloride has a molecular weight of 287.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)benzenesulfonyl chloride is sourced from PubChem (CID 3502760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).