3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C17H27FN2O3S — CID 1242868

IUPAC3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F
InChIInChI=1S/C17H27FN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3
InChIKeyDTMNKJCURJQDPS-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.81
Rot. Bonds5

About 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 1242868) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID1242868
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F
InChIInChI=1S/C17H27FN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3
InChIKeyDTMNKJCURJQDPS-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
1-[2-[(2R)-1-[3-(2-(18F)fluoroethoxy)phenyl]sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 168283760
2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850002
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 991864
4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 37219401
3-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 122377930
4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127028634
4-fluoro-N-[1-[1-(2-propan-2-ylphenoxy)propan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 145963860

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 1242868) is 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DTMNKJCURJQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-6-23-15-9-13(7-8-14(15)18)24(21,22)19-12-10-16(2,3)20-17(4,5)11-12/h7-9,12,19-20H,6,10-11H2,1-5H3.
What are the key properties of 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 358.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1242868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).