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

C17H27BrN2O3S — CID 991864

IUPAC5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H27BrN2O3S/c1-6-23-14-8-7-12(18)9-15(14)24(21,22)19-13-10-16(2,3)20-17(4,5)11-13/h7-9,13,19-20H,6,10-11H2,1-5H3
InChIKeyZDIZSFJXURXCSK-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.44
Rot. Bonds5

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

5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 991864) has the molecular formula C17H27BrN2O3S and a molecular weight of 419.39 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID991864
Molecular FormulaC17H27BrN2O3S
Molecular Weight419.39 g/mol
Exact Mass418.09
IUPAC Name5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H27BrN2O3S/c1-6-23-14-8-7-12(18)9-15(14)24(21,22)19-13-10-16(2,3)20-17(4,5)11-13/h7-9,13,19-20H,6,10-11H2,1-5H3
InChIKeyZDIZSFJXURXCSK-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1'-((5-Bromo-2-methoxyphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308427
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
3-bromo-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 145971588
3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1242868
2,5-diethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1091002
5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 2142207
1-[(5-Bromo-2-ethoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 2378712
5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
CID 4789633
N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18133517
Ethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 3552944
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075
1-(5-Bromo-2-methoxybenzenesulfonyl)-3,5-dimethylpiperidine
CID 3766353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 991864) is 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZDIZSFJXURXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O3S/c1-6-23-14-8-7-12(18)9-15(14)24(21,22)19-13-10-16(2,3)20-17(4,5)11-13/h7-9,13,19-20H,6,10-11H2,1-5H3.
What are the key properties of 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 419.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 991864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).