N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

C17H26N2O4S — CID 110610137

IUPACN-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-14-3-2-11-18-24(21,22)16-8-6-15(7-9-16)10-13-19-12-4-5-17(19)20/h6-9,18H,2-5,10-14H2,1H3
InChIKeyHPEQYOWLRWXYQP-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.56
Rot. Bonds10

About N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 110610137) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID110610137
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-14-3-2-11-18-24(21,22)16-8-6-15(7-9-16)10-13-19-12-4-5-17(19)20/h6-9,18H,2-5,10-14H2,1H3
InChIKeyHPEQYOWLRWXYQP-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
4-methoxy-N-(3-methoxypropyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30393955

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (CID 110610137) is N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is COCCCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1.
What is the InChIKey of N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is HPEQYOWLRWXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-14-3-2-11-18-24(21,22)16-8-6-15(7-9-16)10-13-19-12-4-5-17(19)20/h6-9,18H,2-5,10-14H2,1H3.
What are the key properties of N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110610137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).