1-(benzenesulfonyl)-4-ethylbenzene

C14H14O2S — CID 578693

IUPAC1-(benzenesulfonyl)-4-ethylbenzene
SMILESCCc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyYMOQFMYBDGVJKE-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(benzenesulfonyl)-4-ethylbenzene

1-(benzenesulfonyl)-4-ethylbenzene (PubChem CID 578693) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethylbenzene
PubChem CID578693
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(benzenesulfonyl)-4-ethylbenzene
SMILESCCc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyYMOQFMYBDGVJKE-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethylbenzene?
The IUPAC name of 1-(benzenesulfonyl)-4-ethylbenzene (CID 578693) is 1-(benzenesulfonyl)-4-ethylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethylbenzene is CCc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethylbenzene?
The InChIKey is YMOQFMYBDGVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-ethylbenzene?
1-(benzenesulfonyl)-4-ethylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethylbenzene is sourced from PubChem (CID 578693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).