N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide

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Basic information

CAS: 783319-67-5
Standard SMILES: COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1
InChIKey: NEFTVBVQRVIHHE-UHFFFAOYSA-N
Molecular formula: C21H19N3O7S
Average molar mass: 457.5 g/mol
Monoisotopic mass: 457.09437113

Names & identifiers

Preferred name: N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
IUPAC: N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide

Names & synonyms

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamideN-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}-2-(2-nitrophenoxy)acetamideMLS002245622CHEMBL1719388DTXSID701332928HMS3084K06AKOS034169697783319-67-5SMR001309267Z31759337

Database identifiers

CAS: 783319-67-5
PubChem CID: 4519901
DTXSID: DTXSID701332928
ChEMBL: CHEMBL1719388

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 148 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 729

Experimental & physicochemical properties

Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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