2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 120723323

IUPAC2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-10(2)4-3-5-11(13)14;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H
InChIKeyQITRLTATFLHOHS-UHFFFAOYSA-N
MW322.83 g/mol
LogP1.83
Rot. Bonds3

About 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120723323) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120723323
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-10(2)4-3-5-11(13)14;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H
InChIKeyQITRLTATFLHOHS-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-methylpiperidin-3-yl)-6-nitrobenzenesulfonamide;hydrochloride
CID 120722936
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120723086
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
CID 120723093
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
3,5-dimethyl-N-(4-methylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 63329703
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120723323) is 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is Cc1cccc(F)c1S(=O)(=O)NC1CNCCC1C.Cl.
What is the InChIKey of 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is QITRLTATFLHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-10(2)4-3-5-11(13)14;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H.
What are the key properties of 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).