4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide

C13H19N3O5S2 — CID 18227621

IUPAC4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C13H19N3O5S2/c14-22(18,19)11-4-6-12(7-5-11)23(20,21)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2,(H2,14,18,19)
InChIKeyQGFGIBQGPHKPJL-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.38
Rot. Bonds7

About 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide

4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide (PubChem CID 18227621) has the molecular formula C13H19N3O5S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
PubChem CID18227621
Molecular FormulaC13H19N3O5S2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC Name4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C13H19N3O5S2/c14-22(18,19)11-4-6-12(7-5-11)23(20,21)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2,(H2,14,18,19)
InChIKeyQGFGIBQGPHKPJL-UHFFFAOYSA-N
XLogP-0.38
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzenesulfonamide
CID 4841098
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482085
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide (CID 18227621) is 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide?
The InChIKey is QGFGIBQGPHKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S2/c14-22(18,19)11-4-6-12(7-5-11)23(20,21)15-8-2-10-16-9-1-3-13(16)17/h4-7,15H,1-3,8-10H2,(H2,14,18,19).
What are the key properties of 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide?
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide has a molecular weight of 361.45 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 18227621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).