1-chloro-3-(4-methylphenyl)sulfonylbenzene

C13H11ClO2S — CID 15656438

IUPAC1-chloro-3-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO2S/c1-10-5-7-12(8-6-10)17(15,16)13-4-2-3-11(14)9-13/h2-9H,1H3
InChIKeyKQWOYXHUQULIEX-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.48
Rot. Bonds2

About 1-chloro-3-(4-methylphenyl)sulfonylbenzene

1-chloro-3-(4-methylphenyl)sulfonylbenzene (PubChem CID 15656438) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-chloro-3-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-methylphenyl)sulfonylbenzene
PubChem CID15656438
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name1-chloro-3-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H11ClO2S/c1-10-5-7-12(8-6-10)17(15,16)13-4-2-3-11(14)9-13/h2-9H,1H3
InChIKeyKQWOYXHUQULIEX-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-chloro-3-(4-methylphenyl)sulfonylbenzene (CID 15656438) is 1-chloro-3-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-chloro-3-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-chloro-3-(4-methylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-(4-methylphenyl)sulfonylbenzene?
The InChIKey is KQWOYXHUQULIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-10-5-7-12(8-6-10)17(15,16)13-4-2-3-11(14)9-13/h2-9H,1H3.
What are the key properties of 1-chloro-3-(4-methylphenyl)sulfonylbenzene?
1-chloro-3-(4-methylphenyl)sulfonylbenzene has a molecular weight of 266.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 15656438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).