5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide

C15H21N3O3S — CID 168719420

IUPAC5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cccc(N3CCCCC3)c2)C1
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-10-15(19)18(11-14)13-6-4-5-12(9-13)17-7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-11H2,(H2,16,20,21)
InChIKeyUTQNMRGZVFDJIV-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.07
Rot. Bonds3

About 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide

5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 168719420) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
PubChem CID168719420
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cccc(N3CCCCC3)c2)C1
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-10-15(19)18(11-14)13-6-4-5-12(9-13)17-7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-11H2,(H2,16,20,21)
InChIKeyUTQNMRGZVFDJIV-UHFFFAOYSA-N
XLogP1.07
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712858
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
1-(3-piperidin-1-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672180
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719322
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide (CID 168719420) is 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cccc(N3CCCCC3)c2)C1.
What is the InChIKey of 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is UTQNMRGZVFDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-22(20,21)14-10-15(19)18(11-14)13-6-4-5-12(9-13)17-7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-11H2,(H2,16,20,21).
What are the key properties of 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).