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

C11H12ClNO4S — CID 63030799

IUPAC1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H12ClNO4S/c12-9-3-1-2-4-10(9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyJJDRUQDYDPUMBS-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.44
Rot. Bonds3

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

1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63030799) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63030799
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H12ClNO4S/c12-9-3-1-2-4-10(9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyJJDRUQDYDPUMBS-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716572
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
1-(4-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031664
1-(2-bromo-6-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 114269255
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
1-(2-chloro-4,5-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 122068483

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid (CID 63030799) is 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is JJDRUQDYDPUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-9-3-1-2-4-10(9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15).
What are the key properties of 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).