Methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
Basic information
- CAS
6998-40-9- Standard SMILES
COC(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1- InChIKey
KEVOCRBWMSZWFD-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O5S
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.0703206
Names & identifiers
- Preferred name
- Methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
- IUPAC
- methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
Names & synonyms
Methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate6998-40-9Oprea1_800501DTXSID10411683AKOS022191918AG-670/15543203Methyl 3-{[1-(4-chlorobenzene-1-sulfonyl)prolyl]amino}benzoatemethyl 3-[({1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)amino]benzoate
Database identifiers
- CAS
6998-40-9- PubChem CID
- 5229434
- DTXSID
DTXSID10411683
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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