3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19FN2O2S — CID 57400351

IUPAC3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3
InChIKeyWSLJSAYZBXRCDJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds3

About 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 57400351) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID57400351
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3
InChIKeyWSLJSAYZBXRCDJ-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 57400351) is 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is WSLJSAYZBXRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-15-8-6-12(7-9-15)16(2)19(17,18)13-5-3-4-11(14)10-13/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 57400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).