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

C18H30N2O2S — CID 700222

IUPAC2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C18H30N2O2S/c1-12-8-14(3)16(9-13(12)2)23(21,22)19-15-10-17(4,5)20-18(6,7)11-15/h8-9,15,19-20H,10-11H2,1-7H3
InChIKeyZRXHLYSBUBETEN-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.20
Rot. Bonds3

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

2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 700222) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID700222
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C
InChIInChI=1S/C18H30N2O2S/c1-12-8-14(3)16(9-13(12)2)23(21,22)19-15-10-17(4,5)20-18(6,7)11-15/h8-9,15,19-20H,10-11H2,1-7H3
InChIKeyZRXHLYSBUBETEN-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 700222) is 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZRXHLYSBUBETEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-12-8-14(3)16(9-13(12)2)23(21,22)19-15-10-17(4,5)20-18(6,7)11-15/h8-9,15,19-20H,10-11H2,1-7H3.
What are the key properties of 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 700222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).