3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid

C16H24N2O4S — CID 72881370

IUPAC3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-10-6-9-15(12-18)13-7-5-8-14(11-13)16(19)20/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyBLQDJIXHZWAVBI-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.15
Rot. Bonds6

About 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid

3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid (PubChem CID 72881370) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
PubChem CID72881370
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-10-6-9-15(12-18)13-7-5-8-14(11-13)16(19)20/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyBLQDJIXHZWAVBI-UHFFFAOYSA-N
XLogP2.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid (CID 72881370) is 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid is CCN(CC)S(=O)(=O)N1CCCC(c2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The InChIKey is BLQDJIXHZWAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-10-6-9-15(12-18)13-7-5-8-14(11-13)16(19)20/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid has a molecular weight of 340.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72881370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).