1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene

C16H18O4S2 — CID 173451557

IUPAC1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene
SMILESC=CS(=O)(=O)C=CCc1ccccc1CC=CS(=O)(=O)C=C
InChIInChI=1S/C16H18O4S2/c1-3-21(17,18)13-7-11-15-9-5-6-10-16(15)12-8-14-22(19,20)4-2/h3-10,13-14H,1-2,11-12H2
InChIKeyBMMANBSGJSVESQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.92
Rot. Bonds8

About 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene

1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene (PubChem CID 173451557) has the molecular formula C16H18O4S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene.

Molecular Properties

Compound Name1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene
PubChem CID173451557
Molecular FormulaC16H18O4S2
Molecular Weight338.45 g/mol
Exact Mass338.06
IUPAC Name1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene
SMILESC=CS(=O)(=O)C=CCc1ccccc1CC=CS(=O)(=O)C=C
InChIInChI=1S/C16H18O4S2/c1-3-21(17,18)13-7-11-15-9-5-6-10-16(15)12-8-14-22(19,20)4-2/h3-10,13-14H,1-2,11-12H2
InChIKeyBMMANBSGJSVESQ-UHFFFAOYSA-N
XLogP2.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134852101
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CID 174775131
calcium;2-but-2-enylbenzenesulfonic acid;hydride
CID 174836322
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CID 173151693
2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
prop-2-enamide;2-prop-2-enylbenzenesulfonic acid
CID 175173653
hydroxy-oxo-sulfanylphosphanium;2-prop-2-enylbenzenesulfonic acid
CID 174439222
2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
CID 66815445

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene?
The IUPAC name of 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene (CID 173451557) is 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene.
What is the SMILES notation for 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene?
The canonical SMILES for 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene is C=CS(=O)(=O)C=CCc1ccccc1CC=CS(=O)(=O)C=C.
What is the InChIKey of 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene?
The InChIKey is BMMANBSGJSVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S2/c1-3-21(17,18)13-7-11-15-9-5-6-10-16(15)12-8-14-22(19,20)4-2/h3-10,13-14H,1-2,11-12H2.
What are the key properties of 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene?
1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene has a molecular weight of 338.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene is sourced from PubChem (CID 173451557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).