4-Methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid
Basic information
- CAS
299181-37-6- Standard SMILES
COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCC1- InChIKey
AWZCBLJQMJUZDO-UHFFFAOYSA-N- Molecular formula
- C12H15NO5S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.06709375
Names & identifiers
- Preferred name
- 4-Methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid
- IUPAC
- 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoic acid
Names & synonyms
4-methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid299181-37-64-methoxy-3-(pyrrolidin-1-ylsulfonyl)benzoic acid4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoic acidMFCD009783344-methoxy-3-(1-pyrrolidinylsulfonyl)Benzoic acidCambridge id 53534524-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoic AcidOprea1_302693SCHEMBL7661631DTXSID201235561STK802700
Show more names
AKOS000112125DA-39230CS-0218362EN300-00672G342204-methoxy-3-(pyrrolidine-1-sulfonyl)benzoicacidAB00082422-01SR-01000455358
Database identifiers
- CAS
299181-37-6- PubChem CID
- 760127
- DTXSID
DTXSID201235561- EC Number
- 193-297-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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