2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H18F2N2O2S — CID 5184703

IUPAC2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-6-10(7-9-16)17(2)20(18,19)13-11(14)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3
InChIKeyHLGDWZRYGCZADS-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.68
Rot. Bonds3

About 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 5184703) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID5184703
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-6-10(7-9-16)17(2)20(18,19)13-11(14)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3
InChIKeyHLGDWZRYGCZADS-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 8781350
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
4-fluoro-3-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]benzoic acid
CID 9160518
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
CID 99130922

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 5184703) is 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is HLGDWZRYGCZADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-16-8-6-10(7-9-16)17(2)20(18,19)13-11(14)4-3-5-12(13)15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 5184703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).