(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene

C14H16O2S — CID 68911382

IUPAC(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
SMILESCCC1=C(S(=O)(=O)c2ccccc2)C=CCC1
InChIInChI=1S/C14H16O2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeySFFKAIFXRXWMSS-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.47
Rot. Bonds3

About (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene

(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene (PubChem CID 68911382) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
PubChem CID68911382
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
SMILESCCC1=C(S(=O)(=O)c2ccccc2)C=CCC1
InChIInChI=1S/C14H16O2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeySFFKAIFXRXWMSS-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
2-(benzenesulfonyl)cyclohepta-1,3,6-trien-1-ol
CID 25195074
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
cyclopenten-1-ylsulfonylbenzene
CID 580522
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
4-(benzenesulfonyl)-N-ethylaniline
CID 10849008
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene?
The IUPAC name of (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene (CID 68911382) is (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene.
What is the SMILES notation for (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene?
The canonical SMILES for (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene is CCC1=C(S(=O)(=O)c2ccccc2)C=CCC1.
What is the InChIKey of (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene?
The InChIKey is SFFKAIFXRXWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-2-12-8-6-7-11-14(12)17(15,16)13-9-4-3-5-10-13/h3-5,7,9-11H,2,6,8H2,1H3.
What are the key properties of (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene?
(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene has a molecular weight of 248.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene is sourced from PubChem (CID 68911382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).