1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

C12H15NO5S — CID 2882267

IUPAC1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-9-4-6-10(7-5-9)19(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)
InChIKeyLWZATQDWEXAGQR-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.93
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 2882267) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID2882267
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-18-9-4-6-10(7-5-9)19(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)
InChIKeyLWZATQDWEXAGQR-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)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

2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid
CID 362748
1-[(4-Methoxyphenyl)sulfonyl]piperidine-3-carboxylic acid
CID 2770163
N-[(4-methoxyphenyl)sulfonyl]-D-alanine
CID 705712
N-[(4-methoxyphenyl)sulfonyl]norvaline
CID 3745781
1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxylic acid
CID 2770162
(2R)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71817136
1-(4-Methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10756622
N-[(4-methoxyphenyl)sulfonyl]norleucine
CID 2907798
1-[(3,4-Dimethoxyphenyl)sulfonyl]piperidine-2-carboxylic acid
CID 3240637
2-{[(4-Methoxyphenyl)sulfonyl]amino}butanoic acid
CID 2908857
1-(2,5-Dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 5114465
2-[(4-Methoxyphenyl)sulfonyl-methylamino]acetic acid
CID 362743

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 2882267) is 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is LWZATQDWEXAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-18-9-4-6-10(7-5-9)19(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2882267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).