N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C13H18N2O4S — CID 4211783

IUPACN-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-7-6-15-20(17,18)12-4-2-10(3-5-12)11-8-13(16)14-9-11/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyGZGBGOWLGHPQPH-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.21
Rot. Bonds6

About N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 4211783) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID4211783
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-7-6-15-20(17,18)12-4-2-10(3-5-12)11-8-13(16)14-9-11/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyGZGBGOWLGHPQPH-UHFFFAOYSA-N
XLogP0.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 5136036
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 978022
1-(3-{4-[(2-Methylpropyl)sulfamoyl]phenyl}propanoyl)piperidine-4-carboxamide
CID 1287856

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 4211783) is N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is GZGBGOWLGHPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-7-6-15-20(17,18)12-4-2-10(3-5-12)11-8-13(16)14-9-11/h2-5,11,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 4211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).