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

C15H23FN2O2S — CID 850001

IUPAC4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C15H23FN2O2S/c1-14(2)9-12(10-15(3,4)18-14)17-21(19,20)13-7-5-11(16)6-8-13/h5-8,12,17-18H,9-10H2,1-4H3
InChIKeyUSVMHFMJFLWQMJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.41
Rot. Bonds3

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

4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 850001) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID850001
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C15H23FN2O2S/c1-14(2)9-12(10-15(3,4)18-14)17-21(19,20)13-7-5-11(16)6-8-13/h5-8,12,17-18H,9-10H2,1-4H3
InChIKeyUSVMHFMJFLWQMJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1085517
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
4-tert-Butyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1085514
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 825437
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
Cambridge id 6754860
CID 1158593
4-Ethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 700216
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 874478
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 25162940
1-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 2911262
N-Cyclopropyl-N-4-piperidinylbenzenesulfonamide
CID 2735904

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 850001) is 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2ccc(F)cc2)CC(C)(C)N1.
What is the InChIKey of 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is USVMHFMJFLWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-14(2)9-12(10-15(3,4)18-14)17-21(19,20)13-7-5-11(16)6-8-13/h5-8,12,17-18H,9-10H2,1-4H3.
What are the key properties of 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 850001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).