Benzoic acid, 5-methoxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-14-0- Standard SMILES
COC(=O)c1cc(OC)ccc1S(N)(=O)=O- InChIKey
XGLLPFHACOWJFC-UHFFFAOYSA-N- Molecular formula
- C9H11NO5S
- Average molar mass
- 245.25 g/mol
- Monoisotopic mass
- 245.03579362
Names & identifiers
- Preferred name
- Benzoic acid, 5-methoxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-methoxy-2-sulfamoylbenzoate
Names & synonyms
70017-14-05-Methoxy-2-sulfamidobenzoic acid methyl esterBENZOIC ACID, 5-METHOXY-2-SULFAMOYL-, METHYL ESTERBRN 2981299DTXSID30220279RefChem:327695DTXCID80142770methyl 5-methoxy-2-sulfamoylbenzoateSCHEMBL22827959EN300-1618203
Database identifiers
- CAS
70017-14-0- PubChem CID
- 50944
- DTXSID
DTXSID30220279- Nikkaji
- J83.455F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
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Related reactions
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Compound notes
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