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

C19H32N2O4S — CID 1091002

IUPAC2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H32N2O4S/c1-7-24-15-9-10-16(25-8-2)17(11-15)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
InChIKeyLHXCHJFEFCFVEU-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.07
Rot. Bonds7

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

2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1091002) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1091002
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H32N2O4S/c1-7-24-15-9-10-16(25-8-2)17(11-15)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
InChIKeyLHXCHJFEFCFVEU-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850002
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 991864
1-[(2,5-Dimethoxyphenyl)sulfonyl]-2,6-dimethylpiperidine
CID 2896830
1-(2,5-Dimethoxy-benzenesulfonyl)-3-methyl-piperidine
CID 3132625
2,5-dimethoxy-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71449549
1-(2,5-Diethoxyphenyl)sulfonylpiperidine
CID 647069
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-methylpiperidine
CID 652255
N-(1-benzyl-4-piperidinyl)-2,5-dimethoxybenzenesulfonamide
CID 1091563
3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1242868
2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2266596

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1091002) is 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is LHXCHJFEFCFVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-7-24-15-9-10-16(25-8-2)17(11-15)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.
What are the key properties of 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1091002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).