Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[[3-(aminosulfonyl)phenyl]amino]-2-oxoethyl ester

HCID 4587751

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Basic information

CAS: 744228-38-4
Standard SMILES: CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIKey: WUQMJNOYVSAQBH-UHFFFAOYSA-N
Molecular formula: C23H23N5O5S
Average molar mass: 481.5 g/mol
Monoisotopic mass: 481.14199002

Names & identifiers

Preferred name: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[[3-(aminosulfonyl)phenyl]amino]-2-oxoethyl ester
IUPAC: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

Names & synonyms

DTXSID801040924AKOS030643129744228-38-4Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[[3-(aminosulfonyl)phenyl]amino]-2-oxoethyl esterZ18986957

Database identifiers

CAS: 744228-38-4
PubChem CID: 4587751
DTXSID: DTXSID801040924

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 152 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 9
Heavy atoms: 34
Formal charge: 0
Complexity: 820

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