2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide

C22H22N2O4S — CID 67611664

IUPAC2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide
SMILESNS(=O)(=O)CC(O)(c1ccccc1)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H22N2O4S/c23-29(27,28)15-22(26,17-9-5-2-6-10-17)18-13-14-24-19(18)11-12-20(24)21(25)16-7-3-1-4-8-16/h1-12,18,26H,13-15H2,(H2,23,27,28)
InChIKeyKZLURRJFVNOYLQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.38
Rot. Bonds6

About 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide

2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide (PubChem CID 67611664) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide.

Molecular Properties

Compound Name2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide
PubChem CID67611664
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide
SMILESNS(=O)(=O)CC(O)(c1ccccc1)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H22N2O4S/c23-29(27,28)15-22(26,17-9-5-2-6-10-17)18-13-14-24-19(18)11-12-20(24)21(25)16-7-3-1-4-8-16/h1-12,18,26H,13-15H2,(H2,23,27,28)
InChIKeyKZLURRJFVNOYLQ-UHFFFAOYSA-N
XLogP2.38
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide 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

2-hydroxy-1-[5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizin-1-yl]-1-phenylethanesulfonamide
CID 67611400
2-[(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl]oxyacetic acid
CID 124780812
2-amino-2-(hydroxymethyl)propane-1,3-diol;(1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 73416230
2-hydroxypropyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 129318720
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;butane-1,1,1,2-tetramine
CID 175148406
6-nitrooxyhexyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 10453594
5-benzoyl-N,N-dimethyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 20708721
[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 59981455
5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine
CID 23286014
4-[(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)methylperoxy]butyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 18720460
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 44815857
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
CID 25148271

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide?
The IUPAC name of 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide (CID 67611664) is 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide.
What is the SMILES notation for 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide?
The canonical SMILES for 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide is NS(=O)(=O)CC(O)(c1ccccc1)C1CCn2c(C(=O)c3ccccc3)ccc21.
What is the InChIKey of 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide?
The InChIKey is KZLURRJFVNOYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c23-29(27,28)15-22(26,17-9-5-2-6-10-17)18-13-14-24-19(18)11-12-20(24)21(25)16-7-3-1-4-8-16/h1-12,18,26H,13-15H2,(H2,23,27,28).
What are the key properties of 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide?
2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide is sourced from PubChem (CID 67611664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).