2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide

C16H25N3O3S — CID 51097775

IUPAC2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-12-10-13(2)15(23(17,21)22)11-14(12)16(20)18-6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyAELNSGBAHRLCNU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.17
Rot. Bonds5

About 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide

2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide (PubChem CID 51097775) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
PubChem CID51097775
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-12-10-13(2)15(23(17,21)22)11-14(12)16(20)18-6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyAELNSGBAHRLCNU-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide (CID 51097775) is 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The InChIKey is AELNSGBAHRLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-10-13(2)15(23(17,21)22)11-14(12)16(20)18-6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 51097775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).