5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide

C16H25N3O3S — CID 119441544

IUPAC5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-4-18-23(21,22)14-6-5-12(2)15(11-14)16(20)19(3)13-7-9-17-10-8-13/h5-6,11,13,17-18H,4,7-10H2,1-3H3
InChIKeyJMXGBHPABRTZGJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.12
Rot. Bonds5

About 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide

5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide (PubChem CID 119441544) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
PubChem CID119441544
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-4-18-23(21,22)14-6-5-12(2)15(11-14)16(20)19(3)13-7-9-17-10-8-13/h5-6,11,13,17-18H,4,7-10H2,1-3H3
InChIKeyJMXGBHPABRTZGJ-UHFFFAOYSA-N
XLogP1.12
TPSA78.51 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide (CID 119441544) is 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C2CCNCC2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide?
The InChIKey is JMXGBHPABRTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-18-23(21,22)14-6-5-12(2)15(11-14)16(20)19(3)13-7-9-17-10-8-13/h5-6,11,13,17-18H,4,7-10H2,1-3H3.
What are the key properties of 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide?
5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119441544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).