N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide

C11H15NO3S — CID 71873114

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(9-13)12-16(14,15)8-7-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-/m0/s1
InChIKeyUMYDYLMWDYKICU-JTQLQIEISA-N
MW241.31 g/mol
LogP0.96
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide

N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide (PubChem CID 71873114) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
PubChem CID71873114
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C11H15NO3S/c1-10(9-13)12-16(14,15)8-7-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-/m0/s1
InChIKeyUMYDYLMWDYKICU-JTQLQIEISA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
CID 78977229
2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
CID 71846487
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
cyanomethyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849192
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
CID 706131
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N'-[(E)-2-phenylethenyl]sulfonylpropane-2-sulfonohydrazide
CID 167832614
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849270

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide (CID 71873114) is N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide is C[C@@H](CO)NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide?
The InChIKey is UMYDYLMWDYKICU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S/c1-10(9-13)12-16(14,15)8-7-11-5-3-2-4-6-11/h2-8,10,12-13H,9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 71873114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).