3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C17H28N2O2S — CID 1085517

IUPAC3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C17H28N2O2S/c1-12-7-8-15(9-13(12)2)22(20,21)18-14-10-16(3,4)19-17(5,6)11-14/h7-9,14,18-19H,10-11H2,1-6H3
InChIKeyWIBMWVSRLZCNES-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.89
Rot. Bonds3

About 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1085517) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1085517
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C17H28N2O2S/c1-12-7-8-15(9-13(12)2)22(20,21)18-14-10-16(3,4)19-17(5,6)11-14/h7-9,14,18-19H,10-11H2,1-6H3
InChIKeyWIBMWVSRLZCNES-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1085517) is 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is WIBMWVSRLZCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12-7-8-15(9-13(12)2)22(20,21)18-14-10-16(3,4)19-17(5,6)11-14/h7-9,14,18-19H,10-11H2,1-6H3.
What are the key properties of 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1085517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).