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

C17H28N2O3S — CID 850002

IUPAC2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H28N2O3S/c1-12-7-8-15(14(9-12)22-6)23(20,21)18-13-10-16(2,3)19-17(4,5)11-13/h7-9,13,18-19H,10-11H2,1-6H3
InChIKeyGCXWWERXFCYZPR-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.59
Rot. Bonds4

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

2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 850002) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID850002
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H28N2O3S/c1-12-7-8-15(14(9-12)22-6)23(20,21)18-13-10-16(2,3)19-17(4,5)11-13/h7-9,13,18-19H,10-11H2,1-6H3
InChIKeyGCXWWERXFCYZPR-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 850002) is 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is GCXWWERXFCYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12-7-8-15(14(9-12)22-6)23(20,21)18-13-10-16(2,3)19-17(4,5)11-13/h7-9,13,18-19H,10-11H2,1-6H3.
What are the key properties of 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 850002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).