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

C11H11Cl2NO4S — CID 6559079

IUPAC(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4S/c12-7-4-8(13)6-9(5-7)19(17,18)14-3-1-2-10(14)11(15)16/h4-6,10H,1-3H2,(H,15,16)/t10-/m0/s1
InChIKeySRQOBFXQILTASR-JTQLQIEISA-N
MW324.19 g/mol
LogP2.23
Rot. Bonds3

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

(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 6559079) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID6559079
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4S/c12-7-4-8(13)6-9(5-7)19(17,18)14-3-1-2-10(14)11(15)16/h4-6,10H,1-3H2,(H,15,16)/t10-/m0/s1
InChIKeySRQOBFXQILTASR-JTQLQIEISA-N
XLogP2.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(Benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720844
1-(Phenylsulfonyl)proline
CID 2837293
1-(4-Chlorobenzene-1-sulfonyl)proline
CID 2765064
1-[(2,5-Dichlorophenyl)sulfonyl]proline
CID 624110
1-[(3,4-Dichlorophenyl)sulfonyl]proline
CID 2921845
1-(3,4-Dichlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 3778344
((3-Chlorophenyl)sulfonyl)proline
CID 43084222
5-[(3,5-Dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
n-(3,5-Dichlorophenylsulfonyl)-azetidine-2-carboxylic acid
CID 22324511
1-(4-Chlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2945073
(2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720848
((3-Chloro-4-fluorophenyl)sulfonyl)proline
CID 4157570

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 6559079) is (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is SRQOBFXQILTASR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c12-7-4-8(13)6-9(5-7)19(17,18)14-3-1-2-10(14)11(15)16/h4-6,10H,1-3H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 324.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6559079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).