4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide

C14H21FN2O2S — CID 107585309

IUPAC4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CNCC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-4-13(8-16-7-9)17-20(18,19)14-10(2)5-12(15)6-11(14)3/h5-6,9,13,16-17H,4,7-8H2,1-3H3
InChIKeyOBBZCGVBPGVVDZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 107585309) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID107585309
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CNCC(C)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-4-13(8-16-7-9)17-20(18,19)14-10(2)5-12(15)6-11(14)3/h5-6,9,13,16-17H,4,7-8H2,1-3H3
InChIKeyOBBZCGVBPGVVDZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327615
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide (CID 107585309) is 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CNCC(C)C1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is OBBZCGVBPGVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-4-13(8-16-7-9)17-20(18,19)14-10(2)5-12(15)6-11(14)3/h5-6,9,13,16-17H,4,7-8H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.72, 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-(5-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107585309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).