UNII-82VW0T7ND1 structure

UNII-82VW0T7ND1

2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid

Also Known As: EINECS 288-074-2|2-Amino-4-((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl)amino)benzenesulphonic acid|2-amino-4-[[4-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzoyl]amino]benzenesulphonic acid|2-amino-4-[[4- benzoyl]amino]benzenesulphonicacid|2-Amino-4-((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl)amino)benzenesulfonic acid|2-AMINO-4-[[4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZOYL]AMINO]BENZENESULFONIC ACID|2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid|2-amino-4-[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamido]benzene-1-sulfonic acid|BENZENESULFONIC ACID, 2-AMINO-4-((4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZOYL)AMINO)-|2-Amino-4-[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol)-1-yl]benzoyl]amino]benzenesulfonic acid

CAS: 85650-65-3
Molecular Formula C17H16N4O5S
Molecular Weight 388.08414 g/mol
LogP 1.8804
Topological Polar Surface Area 142.16 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 388.08414
Monoisotopic Mass 388.08414
Heavy Atoms 27
Complexity 1061.2314

Chemical Identifiers

CAS Number 85650-65-3
SMILES CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)S(=O)(=O)O)N

Product Overview

UNII-82VW0T7ND1 (CAS 85650-65-3), with molecular formula C17H16N4O5S and molecular weight 388.08414 g/mol. IUPAC: 2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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