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

C16H25FN2O3S — CID 2142207

IUPAC5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25FN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyBMMMGSKSTBCRLZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.42
Rot. Bonds4

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

5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2142207) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID2142207
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25FN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyBMMMGSKSTBCRLZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.42
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
2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850002
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
5-bromo-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 991864
1-(5-Fluoro-2-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 3154503
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991848
3-ethoxy-4-fluoro-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1242868
N-cycloheptyl-5-fluoro-2-methoxybenzenesulfonamide
CID 850035
2,5-diethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1091002
1-[(5-Fluoro-2-methoxyphenyl)sulfonyl]-3,5-dimethylpiperidine
CID 2978550
N-{[1-(2,2-dimethylpropyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16188534
4-fluoro-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 17520632

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 2142207) is 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is BMMMGSKSTBCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3.
What are the key properties of 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2142207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).