2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid

C13H18N2O5S — CID 61403148

IUPAC2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-20-12-3-2-10(8-11(12)13(16)17)21(18,19)15-9-4-6-14-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3,(H,16,17)
InChIKeyUBAFRSWIRDWHTL-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.42
Rot. Bonds5

About 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid

2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid (PubChem CID 61403148) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
PubChem CID61403148
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-20-12-3-2-10(8-11(12)13(16)17)21(18,19)15-9-4-6-14-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3,(H,16,17)
InChIKeyUBAFRSWIRDWHTL-UHFFFAOYSA-N
XLogP0.42
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-bromo-2-methyl-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79576098
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
3-methoxy-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960491
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 53283023
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid (CID 61403148) is 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)NC2CCNCC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid?
The InChIKey is UBAFRSWIRDWHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-12-3-2-10(8-11(12)13(16)17)21(18,19)15-9-4-6-14-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid?
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 61403148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).