N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H23FN2O2S — CID 107327615

IUPACN-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCC(C)NC1C
InChIInChI=1S/C15H23FN2O2S/c1-9-7-13(16)8-10(2)15(9)21(19,20)18-14-6-5-11(3)17-12(14)4/h7-8,11-12,14,17-18H,5-6H2,1-4H3
InChIKeyCTTPZPMOQLCAEE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.25
Rot. Bonds3

About N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327615) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327615
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCC(C)NC1C
InChIInChI=1S/C15H23FN2O2S/c1-9-7-13(16)8-10(2)15(9)21(19,20)18-14-6-5-11(3)17-12(14)4/h7-8,11-12,14,17-18H,5-6H2,1-4H3
InChIKeyCTTPZPMOQLCAEE-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(4-chloro-1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328222
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
2-methoxy-4,6-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726218
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 107326180

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327615) is N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCC(C)NC1C.
What is the InChIKey of N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is CTTPZPMOQLCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-9-7-13(16)8-10(2)15(9)21(19,20)18-14-6-5-11(3)17-12(14)4/h7-8,11-12,14,17-18H,5-6H2,1-4H3.
What are the key properties of N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).