[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C18H18N2O4S — CID 168682571

IUPAC[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O4S/c19-25(23,24)12-13-10-17(21)20(11-13)16-8-6-15(7-9-16)18(22)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,19,23,24)
InChIKeyQYMQUMLUYJABNC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.56
Rot. Bonds5

About [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682571) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682571
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O4S/c19-25(23,24)12-13-10-17(21)20(11-13)16-8-6-15(7-9-16)18(22)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,19,23,24)
InChIKeyQYMQUMLUYJABNC-UHFFFAOYSA-N
XLogP1.56
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-[3-(hydrazinecarbonyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683124
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
4-chloro-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682408
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(6-anilino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682606

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682571) is [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)c3ccccc3)cc2)C1.
What is the InChIKey of [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QYMQUMLUYJABNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-25(23,24)12-13-10-17(21)20(11-13)16-8-6-15(7-9-16)18(22)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,19,23,24).
What are the key properties of [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).