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

C13H18F2N2O2S — CID 2471805

IUPAC2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-7-5-11(6-8-16)17(2)20(18,19)13-4-3-10(14)9-12(13)15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyQNSIXZOXXNENFD-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.68
Rot. Bonds3

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

2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2471805) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID2471805
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-7-5-11(6-8-16)17(2)20(18,19)13-4-3-10(14)9-12(13)15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyQNSIXZOXXNENFD-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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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 2471805) is 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is QNSIXZOXXNENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-16-7-5-11(6-8-16)17(2)20(18,19)13-4-3-10(14)9-12(13)15/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2,4-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 2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2471805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).