2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

C19H33N2O4S+ — CID 8721975

IUPAC2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC)c1
InChIInChI=1S/C19H32N2O4S/c1-7-24-15-9-10-17(16(11-15)25-8-2)26(22,23)20-14-12-18(3,4)21-19(5,6)13-14/h9-11,14,20-21H,7-8,12-13H2,1-6H3/p+1
InChIKeyUTCRXEXWFCVBGA-UHFFFAOYSA-O
MW385.55 g/mol
LogP2.05
Rot. Bonds7

About 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (PubChem CID 8721975) has the molecular formula C19H33N2O4S+ and a molecular weight of 385.55 g/mol. Its IUPAC name is 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
PubChem CID8721975
Molecular FormulaC19H33N2O4S+
Molecular Weight385.55 g/mol
Exact Mass385.22
IUPAC Name2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC)c1
InChIInChI=1S/C19H32N2O4S/c1-7-24-15-9-10-17(16(11-15)25-8-2)26(22,23)20-14-12-18(3,4)21-19(5,6)13-14/h9-11,14,20-21H,7-8,12-13H2,1-6H3/p+1
InChIKeyUTCRXEXWFCVBGA-UHFFFAOYSA-O
XLogP2.05
TPSA81.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7450668
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7290362
2,4-diethoxy-N-octylbenzenesulfonamide
CID 67803858
2-methyl-5-nitro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 8721914
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301745
2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722974
2-[(1R,3S)-3-[(4-ethoxy-2-methylphenyl)sulfonylamino]cyclopentyl]acetic acid
CID 164633122
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,4-diethoxybenzenesulfonamide
CID 122354494
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (CID 8721975) is 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The InChIKey is UTCRXEXWFCVBGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O4S/c1-7-24-15-9-10-17(16(11-15)25-8-2)26(22,23)20-14-12-18(3,4)21-19(5,6)13-14/h9-11,14,20-21H,7-8,12-13H2,1-6H3/p+1.
What are the key properties of 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide has a molecular weight of 385.55 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is sourced from PubChem (CID 8721975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).