4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C19H32N2O3S — CID 991860

IUPAC4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C19H32N2O3S/c1-8-24-16-9-14(3)17(10-13(16)2)25(22,23)20-15-11-18(4,5)21-19(6,7)12-15/h9-10,15,20-21H,8,11-12H2,1-7H3
InChIKeyLSDUTOWSMFJTQA-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.29
Rot. Bonds5

About 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 991860) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID991860
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C19H32N2O3S/c1-8-24-16-9-14(3)17(10-13(16)2)25(22,23)20-15-11-18(4,5)21-19(6,7)12-15/h9-10,15,20-21H,8,11-12H2,1-7H3
InChIKeyLSDUTOWSMFJTQA-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 991860) is 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is LSDUTOWSMFJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-8-24-16-9-14(3)17(10-13(16)2)25(22,23)20-15-11-18(4,5)21-19(6,7)12-15/h9-10,15,20-21H,8,11-12H2,1-7H3.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 368.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 991860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).