2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide

C13H19FN2O2S — CID 114955897

IUPAC2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2S/c1-10-6-7-15-8-11(10)9-16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyJALPSBROZYREPX-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.35
Rot. Bonds4

About 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide

2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide (PubChem CID 114955897) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
PubChem CID114955897
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2S/c1-10-6-7-15-8-11(10)9-16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyJALPSBROZYREPX-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 114700187
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
3,5-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114955864
2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955854
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-fluoro-5-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80562570
[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
CID 87901132
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide (CID 114955897) is 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide is CC1CCNCC1CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is JALPSBROZYREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-6-7-15-8-11(10)9-16-19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 114955897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).