1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene

C16H16O3S — CID 74601306

IUPAC1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(C=CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-12H,13H2,1H3
InChIKeyMCXXYGPYJRSCDD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene

1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene (PubChem CID 74601306) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
PubChem CID74601306
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
SMILESCOc1ccc(C=CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-12H,13H2,1H3
InChIKeyMCXXYGPYJRSCDD-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfonylethanamine;2-[(E)-3-phenylprop-2-enyl]sulfonylethanamine
CID 158375132
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
CID 73028468
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
(E)-4-(benzenesulfonyl)but-2-en-1-ol
CID 102081679
[(E,2S)-7-(benzenesulfonyl)-2-(6-methoxynaphthalen-2-yl)hept-5-en-3-yl] benzoate
CID 163359681
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
CID 139934221
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene (CID 74601306) is 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene is COc1ccc(C=CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene?
The InChIKey is MCXXYGPYJRSCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-15-11-9-14(10-12-15)6-5-13-20(17,18)16-7-3-2-4-8-16/h2-12H,13H2,1H3.
What are the key properties of 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene?
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene has a molecular weight of 288.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 74601306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).