1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene

C15H14O2S — CID 175536541

IUPAC1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
SMILESCc1cccc(C=CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O2S/c1-13-6-5-7-14(12-13)10-11-18(16,17)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyBYQQCVJTFNHXHZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene

1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene (PubChem CID 175536541) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
PubChem CID175536541
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
SMILESCc1cccc(C=CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O2S/c1-13-6-5-7-14(12-13)10-11-18(16,17)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyBYQQCVJTFNHXHZ-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Benzothiophene 1,1-dioxide
CID 69997
alpha-(Methylsulphonyl)toluene
CID 76562
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene?
The IUPAC name of 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene (CID 175536541) is 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene is Cc1cccc(C=CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene?
The InChIKey is BYQQCVJTFNHXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-13-6-5-7-14(12-13)10-11-18(16,17)15-8-3-2-4-9-15/h2-12H,1H3.
What are the key properties of 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene?
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene has a molecular weight of 258.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene is sourced from PubChem (CID 175536541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).