4-({(2S)-2-[(3-chlorophenoxy)methyl]pyrrolidin-1-yl}carbonyl)-N-1,3-thiazol-2-ylbenzenesulfonamide

HCID 57731972
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@H]1COc1cccc(Cl)c1
InChIKey
FXWJDEXVYXROMG-KRWDZBQOSA-N
Molecular formula
C21H20ClN3O4S2
Average molar mass
478 g/mol
Monoisotopic mass
477.0583762

Names & identifiers

Preferred name
4-({(2S)-2-[(3-chlorophenoxy)methyl]pyrrolidin-1-yl}carbonyl)-N-1,3-thiazol-2-ylbenzenesulfonamide
IUPAC
4-[(2S)-2-[(3-chlorophenoxy)methyl]pyrrolidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Names & synonyms

SCHEMBL3164061FXWJDEXVYXROMG-KRWDZBQOSA-N4-({(2S)-2-[(3-chlorophenoxy)methyl]pyrrolidin-1-yl}carbonyl)-N-1,3-thiazol-2-ylbenzenesulfonamide

Database identifiers

PubChem CID
57731972

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

Loading…