1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H10Cl3NO4S — CID 43361188

IUPAC1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO4S/c12-6-4-7(13)10(8(14)5-6)20(18,19)15-3-1-2-9(15)11(16)17/h4-5,9H,1-3H2,(H,16,17)
InChIKeyYJVVIEXBURNIAI-UHFFFAOYSA-N
MW358.63 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43361188) has the molecular formula C11H10Cl3NO4S and a molecular weight of 358.63 g/mol. Its IUPAC name is 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43361188
Molecular FormulaC11H10Cl3NO4S
Molecular Weight358.63 g/mol
Exact Mass356.94
IUPAC Name1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO4S/c12-6-4-7(13)10(8(14)5-6)20(18,19)15-3-1-2-9(15)11(16)17/h4-5,9H,1-3H2,(H,16,17)
InChIKeyYJVVIEXBURNIAI-UHFFFAOYSA-N
XLogP2.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154
(2R,3R)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105357
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237860
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(2,4,6-trifluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 60971816
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 43361188) is 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is YJVVIEXBURNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO4S/c12-6-4-7(13)10(8(14)5-6)20(18,19)15-3-1-2-9(15)11(16)17/h4-5,9H,1-3H2,(H,16,17).
What are the key properties of 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 358.63 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43361188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).