2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid

C13H18N2O4S — CID 83005826

IUPAC2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-10-11(13(16)17)6-5-7-12(10)20(18,19)14-15-8-3-2-4-9-15/h5-7,14H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyLONZCLWIZXPJPA-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.37
Rot. Bonds4

About 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid

2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid (PubChem CID 83005826) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
PubChem CID83005826
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-10-11(13(16)17)6-5-7-12(10)20(18,19)14-15-8-3-2-4-9-15/h5-7,14H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyLONZCLWIZXPJPA-UHFFFAOYSA-N
XLogP1.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83004727
3-(cyanomethylsulfamoyl)-2-methylbenzoic acid
CID 63743988
3-(2,2-dimethoxyethylsulfamoyl)-2-methylbenzoic acid
CID 79548241
3-methyl-2-(piperidin-1-ylamino)benzoic acid
CID 107112359
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
3-[(4-bromophenyl)sulfamoyl]-2-methylbenzoic acid
CID 63743640
4-bromo-3-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 114362746
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
3-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 66186486
3-(2-acetamidoethylsulfamoyl)-2-methylbenzoic acid
CID 63742484
3-(2,3-dimethylbutylsulfamoyl)-2-methylbenzoic acid
CID 64570035
3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 83012919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid (CID 83005826) is 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cccc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid?
The InChIKey is LONZCLWIZXPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-11(13(16)17)6-5-7-12(10)20(18,19)14-15-8-3-2-4-9-15/h5-7,14H,2-4,8-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid?
2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 83005826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).