2-(1-prop-2-enylsulfonylethenyl)aniline

C11H13NO2S — CID 142854294

IUPAC2-(1-prop-2-enylsulfonylethenyl)aniline
SMILESC=CCS(=O)(=O)C(=C)c1ccccc1N
InChIInChI=1S/C11H13NO2S/c1-3-8-15(13,14)9(2)10-6-4-5-7-11(10)12/h3-7H,1-2,8,12H2
InChIKeyAUNJFUIFXGBKGF-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.84
Rot. Bonds4

About 2-(1-prop-2-enylsulfonylethenyl)aniline

2-(1-prop-2-enylsulfonylethenyl)aniline (PubChem CID 142854294) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1-prop-2-enylsulfonylethenyl)aniline.

Molecular Properties

Compound Name2-(1-prop-2-enylsulfonylethenyl)aniline
PubChem CID142854294
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(1-prop-2-enylsulfonylethenyl)aniline
SMILESC=CCS(=O)(=O)C(=C)c1ccccc1N
InChIInChI=1S/C11H13NO2S/c1-3-8-15(13,14)9(2)10-6-4-5-7-11(10)12/h3-7H,1-2,8,12H2
InChIKeyAUNJFUIFXGBKGF-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylsulfonylethenyl)aniline?
The IUPAC name of 2-(1-prop-2-enylsulfonylethenyl)aniline (CID 142854294) is 2-(1-prop-2-enylsulfonylethenyl)aniline.
What is the SMILES notation for 2-(1-prop-2-enylsulfonylethenyl)aniline?
The canonical SMILES for 2-(1-prop-2-enylsulfonylethenyl)aniline is C=CCS(=O)(=O)C(=C)c1ccccc1N.
What is the InChIKey of 2-(1-prop-2-enylsulfonylethenyl)aniline?
The InChIKey is AUNJFUIFXGBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-8-15(13,14)9(2)10-6-4-5-7-11(10)12/h3-7H,1-2,8,12H2.
What are the key properties of 2-(1-prop-2-enylsulfonylethenyl)aniline?
2-(1-prop-2-enylsulfonylethenyl)aniline has a molecular weight of 223.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylsulfonylethenyl)aniline is sourced from PubChem (CID 142854294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).