4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid

C16H24N2O4S — CID 72842269

IUPAC4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-11-5-6-15(12-18)13-7-9-14(10-8-13)16(19)20/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyKTLBJNXRVXEALX-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.15
Rot. Bonds6

About 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid

4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid (PubChem CID 72842269) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
PubChem CID72842269
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-11-5-6-15(12-18)13-7-9-14(10-8-13)16(19)20/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyKTLBJNXRVXEALX-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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Related Compounds

4-[4-[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]butyl]benzoic acid
CID 10456093
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzoic acid
CID 90281088
4-(Piperidin-4-yl)benzoic acid
CID 18002462
4-(Piperidin-4-YL)benzoic acid hydrochloride
CID 19381764
Tolperisone metabolite M3
CID 71752612
4-(Piperidin-1-ylmethyl)benzoic acid
CID 1092975
4-[1-(2,2-Dicyclohexyl-acetyl)-piperidin-4-ylidenemethyl]-benzoic acid
CID 10251725
4-[1-(3,3-Diphenyl-propionyl)-piperidin-4-ylidenemethyl]-benzoic acid
CID 11112715
4-(1-Diphenylacetyl-piperidin-4-ylidenemethyl)-benzoic acid
CID 44342533
4-(4-Methyl-1-piperazinylmethyl)benzoic acid
CID 4769782
4-(Piperidin-1-ylmethyl)benzoic acid hydrochloride
CID 44118480
1-[4-(Hydroxymethyl)phenyl]-2-methyl-3-(piperidin-1-yl)propan-1-one
CID 71748883

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid (CID 72842269) is 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid is CCN(CC)S(=O)(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
The InChIKey is KTLBJNXRVXEALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-17(4-2)23(21,22)18-11-5-6-15(12-18)13-7-9-14(10-8-13)16(19)20/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid?
4-[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 4-[1-(diethylsulfamoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72842269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).