5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide

C15H21N3O3S — CID 168719381

IUPAC5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cccc(CN3CCCC3)c2)C1
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-9-15(19)18(11-14)13-5-3-4-12(8-13)10-17-6-1-2-7-17/h3-5,8,14H,1-2,6-7,9-11H2,(H2,16,20,21)
InChIKeyCCNHFWXDAKBLPY-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.68
Rot. Bonds4

About 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide

5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide (PubChem CID 168719381) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
PubChem CID168719381
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cccc(CN3CCCC3)c2)C1
InChIInChI=1S/C15H21N3O3S/c16-22(20,21)14-9-15(19)18(11-14)13-5-3-4-12(8-13)10-17-6-1-2-7-17/h3-5,8,14H,1-2,6-7,9-11H2,(H2,16,20,21)
InChIKeyCCNHFWXDAKBLPY-UHFFFAOYSA-N
XLogP0.68
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719152
[1-[3-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683138
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
4-(azidomethyl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658386
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide (CID 168719381) is 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cccc(CN3CCCC3)c2)C1.
What is the InChIKey of 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
The InChIKey is CCNHFWXDAKBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-22(20,21)14-9-15(19)18(11-14)13-5-3-4-12(8-13)10-17-6-1-2-7-17/h3-5,8,14H,1-2,6-7,9-11H2,(H2,16,20,21).
What are the key properties of 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide?
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).