2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid

C13H18N2O5S — CID 83005779

IUPAC2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NN2CCCCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-20-12-6-5-10(9-11(12)13(16)17)21(18,19)14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyHZJDWQMMKNFWLK-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.07
Rot. Bonds5

About 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid

2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid (PubChem CID 83005779) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
PubChem CID83005779
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)NN2CCCCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-20-12-6-5-10(9-11(12)13(16)17)21(18,19)14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyHZJDWQMMKNFWLK-UHFFFAOYSA-N
XLogP1.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid (CID 83005779) is 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)NN2CCCCC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The InChIKey is HZJDWQMMKNFWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-12-6-5-10(9-11(12)13(16)17)21(18,19)14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid?
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 83005779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).