1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H12ClNO4S — CID 43084222

IUPAC1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChIKeyCXDCZBNJZWAXSZ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.58
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43084222) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43084222
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChIKeyCXDCZBNJZWAXSZ-UHFFFAOYSA-N
XLogP1.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
(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-(4-Diethylsulfamoyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
CID 3215957
1-[(3,4-Dichlorophenyl)sulfonyl]proline
CID 2921845
1-(3,4-Dichlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 3778344
(2S)-1-(2-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 2384346
(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic Acid
CID 6559079
1-(4-Chlorobenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2945073
(2S)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 686685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 43084222) is 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CXDCZBNJZWAXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15).
What are the key properties of 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43084222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).