4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide

C13H19FN2O2S — CID 107326148

IUPAC4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)8-10(2)13(9)19(17,18)16-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6H2,1-2H3
InChIKeyMWTWKSMFSKJGQX-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.47
Rot. Bonds3

About 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide

4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 107326148) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID107326148
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)8-10(2)13(9)19(17,18)16-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6H2,1-2H3
InChIKeyMWTWKSMFSKJGQX-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327615
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 107326180
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide (CID 107326148) is 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is MWTWKSMFSKJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-7-11(14)8-10(2)13(9)19(17,18)16-12-3-5-15-6-4-12/h7-8,12,15-16H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 107326148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).