4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C14H21FN2O2S — CID 107328379

IUPAC4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-6-12(15)7-10(2)14(9)20(18,19)17-13-4-5-16-11(3)8-13/h6-7,11,13,16-17H,4-5,8H2,1-3H3
InChIKeyAXIZTXDUHZDMOF-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.86
Rot. Bonds3

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

4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 107328379) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID107328379
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-6-12(15)7-10(2)14(9)20(18,19)17-13-4-5-16-11(3)8-13/h6-7,11,13,16-17H,4-5,8H2,1-3H3
InChIKeyAXIZTXDUHZDMOF-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327615
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 107328379) is 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is AXIZTXDUHZDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-6-12(15)7-10(2)14(9)20(18,19)17-13-4-5-16-11(3)8-13/h6-7,11,13,16-17H,4-5,8H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.86, 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-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 107328379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).