(E)-2-phenyl-N-propan-2-ylethenesulfonamide

C11H15NO2S — CID 23548846

IUPAC(E)-2-phenyl-N-propan-2-ylethenesulfonamide
SMILESCC(C)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-10(2)12-15(13,14)9-8-11-6-4-3-5-7-11/h3-10,12H,1-2H3/b9-8+
InChIKeyPPHABBPIJGUROH-CMDGGOBGSA-N
MW225.31 g/mol
LogP1.99
Rot. Bonds4

About (E)-2-phenyl-N-propan-2-ylethenesulfonamide

(E)-2-phenyl-N-propan-2-ylethenesulfonamide (PubChem CID 23548846) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (E)-2-phenyl-N-propan-2-ylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-propan-2-ylethenesulfonamide
PubChem CID23548846
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(E)-2-phenyl-N-propan-2-ylethenesulfonamide
SMILESCC(C)NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-10(2)12-15(13,14)9-8-11-6-4-3-5-7-11/h3-10,12H,1-2H3/b9-8+
InChIKeyPPHABBPIJGUROH-CMDGGOBGSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
CID 78977229
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
CID 60548872
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
cyanomethyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849192
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
CID 706131

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-propan-2-ylethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-propan-2-ylethenesulfonamide (CID 23548846) is (E)-2-phenyl-N-propan-2-ylethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-propan-2-ylethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-propan-2-ylethenesulfonamide is CC(C)NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-propan-2-ylethenesulfonamide?
The InChIKey is PPHABBPIJGUROH-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-10(2)12-15(13,14)9-8-11-6-4-3-5-7-11/h3-10,12H,1-2H3/b9-8+.
What are the key properties of (E)-2-phenyl-N-propan-2-ylethenesulfonamide?
(E)-2-phenyl-N-propan-2-ylethenesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 23548846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).