Benzoic acid, 5-ethoxy-2-sulfamoyl-, methyl ester
Basic information
- CAS
70017-15-1- Standard SMILES
CCOc1ccc(S(N)(=O)=O)c(C(=O)OC)c1- InChIKey
YHQYLCNKOVPIAJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Names & identifiers
- Preferred name
- Benzoic acid, 5-ethoxy-2-sulfamoyl-, methyl ester
- IUPAC
- methyl 5-ethoxy-2-sulfamoylbenzoate
Names & synonyms
BRN 2984644BENZOIC ACID, 5-ETHOXY-2-SULFAMOYL-, METHYL ESTER70017-15-15-Ethoxy-2-sulfamoylbenzoic acid, 3-methyl esterDTXSID40220280RefChem:327681DTXCID40142771methyl 5-ethoxy-2-sulfamoylbenzoate
Database identifiers
- CAS
70017-15-1- PubChem CID
- 50945
- DTXSID
DTXSID40220280- Nikkaji
- J83.399A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
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Related reactions
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Compound notes
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