2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
2-[(4-chlorophenyl)methylamino]ethanesulfonic acid
Molecular Identity
2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
2-[(4-chlorophenyl)methylamino]ethanesulfonic acid
PubChem CID: 18439261
2D Structure
Properties
C9H12ClNO3S
Molecular Formula
249.72
Molecular Weight
g/mol
249.0226
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
74.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
268
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CNCCS(=O)(=O)O)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1CNCCS(=O)(=O)O)ClSynonyms(4)
2-[(4-Chlorobenzyl)amino]ethanesulfonic AcidSCHEMBL5619351Q27463123MFY
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
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