(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic Acid

HCID 6559079

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

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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