Basic information
- CAS
217326-48-2- Standard SMILES
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1- InChIKey
SRQOBFXQILTASR-JTQLQIEISA-N- Molecular formula
- C11H11Cl2NO4S
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 322.97858419
Names & identifiers
- Preferred name
- (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic Acid
- IUPAC
- (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
- English name
- N-(3,5-Dichlorobenzenesulfonyl)-L-proline
- Molecular formula
- C11H11Cl2NO4S
- Molecular weight
- 324.18
Names & synonyms
217326-48-2N-(3,5-Dichlorobenzenesulfonyl)-L-proline(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic Acid(S)-1-((3,5-Dichlorophenyl)sulfonyl)pyrrolidine-2-carboxylic acidMFCD06858482CHEMBL206946SCHEMBL3904078DTXSID40424928SRQOBFXQILTASR-JTQLQIEISA-NBDBM501872263,5-Dichlorophenyl-sulfonyl-L-prolineAKOS025428050
Show more names
L-Proline, 1-[(3,5-dichlorophenyl)sulfonyl]-
N-(3,5-diChlorobenzenesulfonyl)-ProlineN-((3,5-DiCl-Phenyl)Sulfonyl)-Pro-OHN-(3,5-Dichlorophenylsulfonyl)-L-prolineN-(3 5-Dichlorobenzenesulfonyl)-(L)-proline1-(3,5-Dichlorobenzene-1-sulfonyl)-L-prolineD40011G71944(S)-1-(3,5-dichlorophenylsulfonyl)pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
217326-48-2- PubChem CID
- 6559079
- DTXSID
DTXSID40424928- ChEMBL
CHEMBL206946- Nikkaji
- J1.674.400J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 526.6 · 526.6±60.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.20(Predicted)
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海锲诺医药科技有限公司021-021-51557188 15901710861 · [email protected]
Related reactions
4 records
Compound notes
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