2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid

C14H20N2O5S — CID 167982876

IUPAC2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
SMILESCCN1CCC(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-2-16-8-7-11(9-16)15-22(19,20)13-5-3-12(4-6-13)21-10-14(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,17,18)
InChIKeyWXLWXBFAOKEJOV-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.52
Rot. Bonds7

About 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid

2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid (PubChem CID 167982876) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
PubChem CID167982876
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
SMILESCCN1CCC(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-2-16-8-7-11(9-16)15-22(19,20)13-5-3-12(4-6-13)21-10-14(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,17,18)
InChIKeyWXLWXBFAOKEJOV-UHFFFAOYSA-N
XLogP0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide
CID 126853834
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid (CID 167982876) is 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid is CCN1CCC(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is WXLWXBFAOKEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-16-8-7-11(9-16)15-22(19,20)13-5-3-12(4-6-13)21-10-14(17)18/h3-6,11,15H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid?
2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 328.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 167982876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).