N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C20H24N2O3S — CID 71768736

IUPACN-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-20-13-7-14-21(20)15-8-16-22(17-18-9-3-1-4-10-18)26(24,25)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2
InChIKeyAJVFIOULHWHESQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.89
Rot. Bonds8

About N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 71768736) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID71768736
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-20-13-7-14-21(20)15-8-16-22(17-18-9-3-1-4-10-18)26(24,25)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2
InChIKeyAJVFIOULHWHESQ-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3203401
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 46319212
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 655682
N-benzyl-N-[3-[2-(benzylamino)ethylamino]propyl]benzenesulfonamide
CID 167012905
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide
CID 57088332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 71768736) is N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is AJVFIOULHWHESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20-13-7-14-21(20)15-8-16-22(17-18-9-3-1-4-10-18)26(24,25)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2.
What are the key properties of N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 71768736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).