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

C11H12ClNO4S — CID 63030624

IUPAC1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C11H12ClNO4S/c12-9-2-1-3-10(6-9)18(16,17)13-5-4-8(7-13)11(14)15/h1-3,6,8H,4-5,7H2,(H,14,15)
InChIKeyZAOPUUKDYCAEJB-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.44
Rot. Bonds3

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

1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63030624) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63030624
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C11H12ClNO4S/c12-9-2-1-3-10(6-9)18(16,17)13-5-4-8(7-13)11(14)15/h1-3,6,8H,4-5,7H2,(H,14,15)
InChIKeyZAOPUUKDYCAEJB-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-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
(3S)-1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 124625888
1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716574
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-(4-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031664
1-(3-chloro-4-cyanophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 115776583
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid (CID 63030624) is 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is ZAOPUUKDYCAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-9-2-1-3-10(6-9)18(16,17)13-5-4-8(7-13)11(14)15/h1-3,6,8H,4-5,7H2,(H,14,15).
What are the key properties of 1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
1-(3-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-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).