3-(benzenesulfonyl)prop-1-en-2-ylbenzene

C15H14O2S — CID 575471

IUPAC3-(benzenesulfonyl)prop-1-en-2-ylbenzene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-13(14-8-4-2-5-9-14)12-18(16,17)15-10-6-3-7-11-15/h2-11H,1,12H2
InChIKeyHRTGRZSAMSNPEK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.17
Rot. Bonds4

About 3-(benzenesulfonyl)prop-1-en-2-ylbenzene

3-(benzenesulfonyl)prop-1-en-2-ylbenzene (PubChem CID 575471) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-(benzenesulfonyl)prop-1-en-2-ylbenzene
PubChem CID575471
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3-(benzenesulfonyl)prop-1-en-2-ylbenzene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2S/c1-13(14-8-4-2-5-9-14)12-18(16,17)15-10-6-3-7-11-15/h2-11H,1,12H2
InChIKeyHRTGRZSAMSNPEK-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
Diphenyl sulfone
CID 31386
Benzyl sulfoxide
CID 12116
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzothiophene 1,1-dioxide
CID 69997
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
(2-Propen-1-ylsulfonyl)benzene
CID 85330
alpha-(Methylsulphonyl)toluene
CID 76562

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)prop-1-en-2-ylbenzene?
The IUPAC name of 3-(benzenesulfonyl)prop-1-en-2-ylbenzene (CID 575471) is 3-(benzenesulfonyl)prop-1-en-2-ylbenzene.
What is the SMILES notation for 3-(benzenesulfonyl)prop-1-en-2-ylbenzene?
The canonical SMILES for 3-(benzenesulfonyl)prop-1-en-2-ylbenzene is C=C(CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)prop-1-en-2-ylbenzene?
The InChIKey is HRTGRZSAMSNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-13(14-8-4-2-5-9-14)12-18(16,17)15-10-6-3-7-11-15/h2-11H,1,12H2.
What are the key properties of 3-(benzenesulfonyl)prop-1-en-2-ylbenzene?
3-(benzenesulfonyl)prop-1-en-2-ylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)prop-1-en-2-ylbenzene is sourced from PubChem (CID 575471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).