2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid

C13H18N2O5S — CID 61403339

IUPAC2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H18N2O5S/c16-13(17)9-20-11-1-3-12(4-2-11)21(18,19)15-10-5-7-14-8-6-10/h1-4,10,14-15H,5-9H2,(H,16,17)
InChIKeyWSTUBKSYUCTOGY-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.18
Rot. Bonds6

About 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid

2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid (PubChem CID 61403339) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
PubChem CID61403339
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H18N2O5S/c16-13(17)9-20-11-1-3-12(4-2-11)21(18,19)15-10-5-7-14-8-6-10/h1-4,10,14-15H,5-9H2,(H,16,17)
InChIKeyWSTUBKSYUCTOGY-UHFFFAOYSA-N
XLogP0.18
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
CID 167982876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid (CID 61403339) is 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NC2CCNCC2)cc1.
What is the InChIKey of 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid?
The InChIKey is WSTUBKSYUCTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-13(17)9-20-11-1-3-12(4-2-11)21(18,19)15-10-5-7-14-8-6-10/h1-4,10,14-15H,5-9H2,(H,16,17).
What are the key properties of 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid?
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid has a molecular weight of 314.36 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 61403339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).