1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene

C11H14O3S — CID 13153174

IUPAC1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
SMILESC/C=C/CS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H14O3S/c1-3-4-9-15(12,13)11-8-6-5-7-10(11)14-2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyNNYBFMHTQGSXHF-ONEGZZNKSA-N
MW226.30 g/mol
LogP2.05
Rot. Bonds4

About 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene

1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene (PubChem CID 13153174) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
PubChem CID13153174
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
SMILESC/C=C/CS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H14O3S/c1-3-4-9-15(12,13)11-8-6-5-7-10(11)14-2/h3-8H,9H2,1-2H3/b4-3+
InChIKeyNNYBFMHTQGSXHF-ONEGZZNKSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-2-methoxybenzene
CID 12920561
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
3-[(E)-but-2-enyl]sulfonyl-4-methoxybenzoic acid
CID 43323257
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
ethyl-imino-(2-methoxyphenyl)-oxo-λ6-sulfane
CID 125424647
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
CID 146317810
N-[3-(2-methoxyphenyl)sulfonylpropyl]-N,2-dimethylpropan-2-amine
CID 161258286
1-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2-methoxybenzene
CID 64998330
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-[1-[(2-methoxyphenyl)sulfonylmethyl]cyclopropyl]acetonitrile
CID 65494084

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene?
The IUPAC name of 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene (CID 13153174) is 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene is C/C=C/CS(=O)(=O)c1ccccc1OC.
What is the InChIKey of 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene?
The InChIKey is NNYBFMHTQGSXHF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-4-9-15(12,13)11-8-6-5-7-10(11)14-2/h3-8H,9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene?
1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene has a molecular weight of 226.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene is sourced from PubChem (CID 13153174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).