1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene

C12H14O4S2 — CID 3023966

IUPAC1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene
SMILESC=CS(=O)(=O)c1cc(S(=O)(=O)C=C)c(C)cc1C
InChIInChI=1S/C12H14O4S2/c1-5-17(13,14)11-8-12(18(15,16)6-2)10(4)7-9(11)3/h5-8H,1-2H2,3-4H3
InChIKeyBGZJIFCQZFIYJP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.14
Rot. Bonds4

About 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene

1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene (PubChem CID 3023966) has the molecular formula C12H14O4S2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene
PubChem CID3023966
Molecular FormulaC12H14O4S2
Molecular Weight286.37 g/mol
Exact Mass286.03
IUPAC Name1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene
SMILESC=CS(=O)(=O)c1cc(S(=O)(=O)C=C)c(C)cc1C
InChIInChI=1S/C12H14O4S2/c1-5-17(13,14)11-8-12(18(15,16)6-2)10(4)7-9(11)3/h5-8H,1-2H2,3-4H3
InChIKeyBGZJIFCQZFIYJP-UHFFFAOYSA-N
XLogP2.14
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Meticrane
CID 4165
Sodium m-xylene-4-sulfonate
CID 23677979
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
1-Tert-butyl-4-(ethenesulfonyl)benzene
CID 879322
p-Tolyl methyl sulfone
CID 18521
Benzenesulfonyl chloride, 2,4-dimethyl-
CID 69109
1,3,5-Trimethyl-2-tosylbenzene
CID 272513
4-methyl-N-[methyl(propyl)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 9554254
Benzo(b)thiophene 1,1-dioxide, 3-methyl-
CID 138741
Ditosylmethane
CID 275690

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene?
The IUPAC name of 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene (CID 3023966) is 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene?
The canonical SMILES for 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene is C=CS(=O)(=O)c1cc(S(=O)(=O)C=C)c(C)cc1C.
What is the InChIKey of 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene?
The InChIKey is BGZJIFCQZFIYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4S2/c1-5-17(13,14)11-8-12(18(15,16)6-2)10(4)7-9(11)3/h5-8H,1-2H2,3-4H3.
What are the key properties of 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene?
1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene has a molecular weight of 286.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenylsulfonyl)-2,4-dimethylbenzene is sourced from PubChem (CID 3023966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).