2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid

C13H18N2O5S — CID 83004727

IUPAC2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H18N2O5S/c1-9-7-11(16)10(13(17)18)8-12(9)21(19,20)14-15-5-3-2-4-6-15/h7-8,14,16H,2-6H2,1H3,(H,17,18)
InChIKeyLWFINZHGINOCBB-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.08
Rot. Bonds4

About 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid

2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid (PubChem CID 83004727) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
PubChem CID83004727
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H18N2O5S/c1-9-7-11(16)10(13(17)18)8-12(9)21(19,20)14-15-5-3-2-4-6-15/h7-8,14,16H,2-6H2,1H3,(H,17,18)
InChIKeyLWFINZHGINOCBB-UHFFFAOYSA-N
XLogP1.08
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005826
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
4-bromo-3-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 114362746
5-amino-4-chloro-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83013462
5-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 55603645
2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390
5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62268095
2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 83012282
2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395257
2-hydroxy-4-methyl-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266448
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420
2-hydroxy-4-methyl-5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 63966404

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid (CID 83004727) is 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid?
The InChIKey is LWFINZHGINOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-7-11(16)10(13(17)18)8-12(9)21(19,20)14-15-5-3-2-4-6-15/h7-8,14,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 83004727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).