1-(benzenesulfonyl)-2,4-dimethylbenzene

C14H14O2S — CID 521084

IUPAC1-(benzenesulfonyl)-2,4-dimethylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C14H14O2S/c1-11-8-9-14(12(2)10-11)17(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyZCVSDPUSEUOUHQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.14
Rot. Bonds2

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

1-(benzenesulfonyl)-2,4-dimethylbenzene (PubChem CID 521084) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,4-dimethylbenzene
PubChem CID521084
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(benzenesulfonyl)-2,4-dimethylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C14H14O2S/c1-11-8-9-14(12(2)10-11)17(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyZCVSDPUSEUOUHQ-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(benzenesulfonyl)-2,4-dimethylbenzene (CID 521084) is 1-(benzenesulfonyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2,4-dimethylbenzene is Cc1ccc(S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2,4-dimethylbenzene?
The InChIKey is ZCVSDPUSEUOUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-11-8-9-14(12(2)10-11)17(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2,4-dimethylbenzene?
1-(benzenesulfonyl)-2,4-dimethylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,4-dimethylbenzene is sourced from PubChem (CID 521084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).