4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H26N2O3S — CID 580300

IUPAC4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2)10-12(11-16(3,4)18-15)17-22(19,20)14-8-6-13(21-5)7-9-14/h6-9,12,17-18H,10-11H2,1-5H3
InChIKeyPGRHUPFWWQDFDZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.28
Rot. Bonds4

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

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 580300) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID580300
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2)10-12(11-16(3,4)18-15)17-22(19,20)14-8-6-13(21-5)7-9-14/h6-9,12,17-18H,10-11H2,1-5H3
InChIKeyPGRHUPFWWQDFDZ-UHFFFAOYSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 580300) is 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is PGRHUPFWWQDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-15(2)10-12(11-16(3,4)18-15)17-22(19,20)14-8-6-13(21-5)7-9-14/h6-9,12,17-18H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 580300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).