Benzoic acid, 5-amino-2-[(4-aminophenyl)sulfonyl]-, methyl ester
Basic information
- CAS
34332-21-3- Standard SMILES
COC(=O)c1cc(N)ccc1S(=O)(=O)c1ccc(N)cc1- InChIKey
URUXPTCHGFMMRC-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-[(4-aminophenyl)sulfonyl]-, methyl ester
- IUPAC
- methyl 5-amino-2-(4-aminophenyl)sulfonylbenzoate
Names & synonyms
34332-21-3Benzoic acid, 5-amino-2-[(4-aminophenyl)sulfonyl]-, methyl esterSCHEMBL9714080DTXSID00347907URUXPTCHGFMMRC-UHFFFAOYSA-N2-Carbomethoxy-4,4'-diaminodiphenyl sulfoneMethyl 5-amino-2-(4-aminobenzene-1-sulfonyl)benzoateMethyl 5-amino-2-[(4-aminophenyl)sulfonyl]benzoate #
Database identifiers
- CAS
34332-21-3- PubChem CID
- 627804
- DTXSID
DTXSID00347907
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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