1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide

C12H15NO2S — CID 173333425

IUPAC1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCc1ccccc1C(C=C)S(N)(=O)=O
InChIInChI=1S/C12H15NO2S/c1-3-7-10-8-5-6-9-11(10)12(4-2)16(13,14)15/h3-6,8-9,12H,1-2,7H2,(H2,13,14,15)
InChIKeyRDURUQQXYXZMPZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide

1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide (PubChem CID 173333425) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide
PubChem CID173333425
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCc1ccccc1C(C=C)S(N)(=O)=O
InChIInChI=1S/C12H15NO2S/c1-3-7-10-8-5-6-9-11(10)12(4-2)16(13,14)15/h3-6,8-9,12H,1-2,7H2,(H2,13,14,15)
InChIKeyRDURUQQXYXZMPZ-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide?
The IUPAC name of 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide (CID 173333425) is 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide is C=CCc1ccccc1C(C=C)S(N)(=O)=O.
What is the InChIKey of 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide?
The InChIKey is RDURUQQXYXZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-7-10-8-5-6-9-11(10)12(4-2)16(13,14)15/h3-6,8-9,12H,1-2,7H2,(H2,13,14,15).
What are the key properties of 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide?
1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylphenyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 173333425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).