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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Related Compounds

2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
1-(2-prop-2-enylphenyl)ethanol
CID 10749513
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CID 174684610
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
1-(2-prop-2-enylphenyl)ethylphosphanyl acetate
CID 143547500
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-prop-2-enylaniline
CID 3036592
2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
1-[1-(2-prop-2-enylphenyl)prop-2-enyl]pyrazole
CID 69328104
lithium (2-prop-2-enylphenyl)azanide
CID 22988539
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
prop-2-enamide;2-prop-2-enylbenzenesulfonic acid
CID 175173653

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).