1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide

C12H16N2O4S — CID 168716694

IUPAC1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CC(O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O4S/c13-19(17,18)10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,17,18)
InChIKeyPMCRECRWZIUZQX-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.39
Rot. Bonds4

About 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716694) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716694
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CC(O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O4S/c13-19(17,18)10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,17,18)
InChIKeyPMCRECRWZIUZQX-UHFFFAOYSA-N
XLogP-0.39
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716563
4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716694) is 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(CC(O)c2ccccc2)C1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PMCRECRWZIUZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-19(17,18)10-6-12(16)14(7-10)8-11(15)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,17,18).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).