Compound C21H16N2O7S2

1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid

CAS: 128-98-3

Molecular Formula	`C21H16N2O7S2`
Molecular Weight	472.5 g/mol
LogP	2.9
Topological Polar Surface Area	177.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	472.0399
Heavy Atoms	32
Complexity	961.0

Chemical Identifiers

CAS Number	128-98-3
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O`
InChIKey	`IIZQAPDECJYKDK-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H16N2O7S2 (CAS: 128-98-3) is a chemical compound with molecular formula C21H16N2O7S2 and molecular weight 472.5 g/mol. Its IUPAC systematic name is 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid. LogP 2.9 Topological Polar Surface Area 177.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 472.0399 Heavy Atoms 32 Complexity 961.0 InChI Key: IIZQAPDECJYKDK-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.

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