Methyl 2-[(phenylsulfonyl)amino]benzoate
Basic information
- CAS
10038-81-0- Standard SMILES
COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1- InChIKey
BNUYGKDUWNWOIS-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- Methyl 2-[(phenylsulfonyl)amino]benzoate
- IUPAC
- methyl 2-(benzenesulfonamido)benzoate
- English name
- Methyl 2-(phenylsulfonamido)benzoate
- Molecular formula
- C14H13NO4S
- Molecular weight
- 291.32232
Names & synonyms
10038-81-0methyl 2-[(phenylsulfonyl)amino]benzoatemethyl 2-(benzenesulfonamido)benzoateMethyl 2-(phenylsulfonamido)benzoateMETHYL 2-BENZENESULFONAMIDOBENZOATEBenzoic acid, 2-[(phenylsulfonyl)amino]-, methyl esterNSC405691SCHEMBL13011714DTXSID30324089HMS1583O20Methyl2-(phenylsulfonamido)benzoateSTK048981
Show more names
BENZOIC ACID,2-[(PHENYLSULFONYL)AMINO]-, METHYL ESTER
AKOS000383214NSC-405691s11572methyl 2-[(benzenesulfonyl)amino]benzoateCS-0329942ST50692326AB00082377-01Z45612053
Database identifiers
- CAS
10038-81-0- PubChem CID
- 347180
- DTXSID
DTXSID30324089
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 447.9 · 447.9±47.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 7.82 · 7.82±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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