[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate

C13H16O5S — CID 10493298

IUPAC[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate
SMILESCCOC(=O)OC(C)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O5S/c1-3-17-13(14)18-11(2)9-10-19(15,16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+
InChIKeyXCKHIDROTMPAKI-MDZDMXLPSA-N
MW284.33 g/mol
LogP2.54
Rot. Bonds5

About [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate

[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate (PubChem CID 10493298) has the molecular formula C13H16O5S and a molecular weight of 284.33 g/mol. Its IUPAC name is [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate
PubChem CID10493298
Molecular FormulaC13H16O5S
Molecular Weight284.33 g/mol
Exact Mass284.07
IUPAC Name[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate
SMILESCCOC(=O)OC(C)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16O5S/c1-3-17-13(14)18-11(2)9-10-19(15,16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+
InChIKeyXCKHIDROTMPAKI-MDZDMXLPSA-N
XLogP2.54
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Benzenesulfonyl)ethyl prop-2-enoate
CID 44377390
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate
CID 2257821
Methyl (2E)-3-(phenylsulfonyl)-2-propenoate
CID 5371447
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
Methyl (2Z)-3-(phenylsulfonyl)-2-propenoate
CID 12359754
2-(Benzenesulfonyl)heptan-3-yl acetate
CID 12776942
[(Z)-3-fluoro-4,4,4-trimethoxybut-2-enyl]sulfonylbenzene
CID 14043451

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate?
The IUPAC name of [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate (CID 10493298) is [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate.
What is the SMILES notation for [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate?
The canonical SMILES for [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate is CCOC(=O)OC(C)/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate?
The InChIKey is XCKHIDROTMPAKI-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H16O5S/c1-3-17-13(14)18-11(2)9-10-19(15,16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+.
What are the key properties of [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate?
[(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate has a molecular weight of 284.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(benzenesulfonyl)but-3-en-2-yl] ethyl carbonate is sourced from PubChem (CID 10493298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).