5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid

C14H20N2O4S — CID 2531882

IUPAC5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyATFRGLNGURZGBY-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.63
Rot. Bonds4

About 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid

5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid (PubChem CID 2531882) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
PubChem CID2531882
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyATFRGLNGURZGBY-UHFFFAOYSA-N
XLogP1.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid (CID 2531882) is 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
The InChIKey is ATFRGLNGURZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid?
5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 2531882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).