4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid

CAS: 120-01-4

Molecular Formula	`C15H16N2O9S2`
Molecular Weight	432.4 g/mol
LogP	0.5
Topological Polar Surface Area	185.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	432.02972
Heavy Atoms	28
Complexity	682.0

Chemical Identifiers

CAS Number	120-01-4
SMILES	`COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC`
InChIKey	`JHYBBUAJZBVIRD-UHFFFAOYSA-N`

📖 Product Overview

4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid (CAS: 120-01-4) is a chemical compound with molecular formula C15H16N2O9S2 and molecular weight 432.4 g/mol. Its IUPAC systematic name is 4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid. LogP 0.5 Topological Polar Surface Area 185.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 432.02972 Heavy Atoms 28 Complexity 682.0 InChI Key: JHYBBUAJZBVIRD-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC.

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