2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid

C13H15Cl2NO5S — CID 59746470

IUPAC2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO5S/c14-10-4-1-5-11(15)13(10)22(19,20)16-6-2-3-9(16)7-21-8-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyLSAGGGPSSQQFAB-UHFFFAOYSA-N
MW368.24 g/mol
LogP2.25
Rot. Bonds6

About 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid

2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid (PubChem CID 59746470) has the molecular formula C13H15Cl2NO5S and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
PubChem CID59746470
Molecular FormulaC13H15Cl2NO5S
Molecular Weight368.24 g/mol
Exact Mass367.00
IUPAC Name2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
SMILESO=C(O)COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO5S/c14-10-4-1-5-11(15)13(10)22(19,20)16-6-2-3-9(16)7-21-8-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyLSAGGGPSSQQFAB-UHFFFAOYSA-N
XLogP2.25
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 129385003
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 67454318
2-[[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 69319727
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 67454411
2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone
CID 67454837
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 67455259
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
2-[[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 143657937
2-[[1-(2,6-dichlorophenyl)sulfanylpiperidin-2-yl]methoxy]acetic acid
CID 89006742
(2R,3R)-1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105446

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid (CID 59746470) is 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid is O=C(O)COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid?
The InChIKey is LSAGGGPSSQQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO5S/c14-10-4-1-5-11(15)13(10)22(19,20)16-6-2-3-9(16)7-21-8-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18).
What are the key properties of 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid?
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid has a molecular weight of 368.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 59746470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).