C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N
CAS: 28328-54-3
Name: 3-amino-4-phenoxy-5-sulfamoylbenzoic acid
SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N

Molecular Processing

Molecular formula
C13H12N2O5S
Molecular weight
308.32
Exact mass
308.0467
XLogP
1.41
TPSA
132.71
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
75.7

Supplementary Information

InChIKey: GVQZPZSQRCXSJI-UHFFFAOYSA-N
Synonyme
3-amino-4-phenoxy-5-sulfamoylbenzoic acidDesbutylbumetanide3-Amino-5-(aminosulphonyl)-4-phenoxybenzoic acid9D69CZ7VGU3-AMINO-5-(AMINOSULFONYL)-4-PHENOXYBENZOIC ACIDEINECS 248-971-1UNII-9D69CZ7VGUDTXSID10182568Benzoic acid, 3-amino-5-(aminosulfonyl)-4-phenoxy-RefChem:198230DTXCID5010505928328-54-3Desbutyl BumetanideBumetanide EP Impurity B3-Amino-4-phenoxy-5-sulfamoyl-benzoic acid3-Amino-4-phenoxy-5-sulfamoylbenoic acidBUMETANIDE_met0135-Amino-3-aminosulfony-4-phenoxybenzoic acidBumetanide impurity B CRSSCHEMBL574020Benzoic acid,3-amino-5-(aminosulfonyl)-4-phenoxy-MFCD00988316AKOS0159673853-amino-4-phenoxy-5-sulfamoylbenzoicacid3-amino-4-phenoxy-5-sulfamylbenzoic acid3-amino-4-phenoxy-5-sulphamyl benzoic acid3-amino-4-phenoxy-5-sulphamyl-benzoic acid3-sulphamoyl-4-phenoxy-5-aminobenzoic acidBUMETANIDE IMPURITY B [EP IMPURITY]DB-348061
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