2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

C12H17ClF2N2O2S — CID 120722734

IUPAC2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-5-6-15-7-10(8)16-19(17,18)11-4-2-3-9(13)12(11)14;/h2-4,8,10,15-16H,5-7H2,1H3;1H
InChIKeyMGAPUMOIAPWOIM-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.66
Rot. Bonds3

About 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride

2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120722734) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120722734
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-5-6-15-7-10(8)16-19(17,18)11-4-2-3-9(13)12(11)14;/h2-4,8,10,15-16H,5-7H2,1H3;1H
InChIKeyMGAPUMOIAPWOIM-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
2-fluoro-N-(4-methylpiperidin-3-yl)-6-nitrobenzenesulfonamide;hydrochloride
CID 120722936
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120723086
3-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120707591

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120722734) is 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1cccc(F)c1F.Cl.
What is the InChIKey of 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is MGAPUMOIAPWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-8-5-6-15-7-10(8)16-19(17,18)11-4-2-3-9(13)12(11)14;/h2-4,8,10,15-16H,5-7H2,1H3;1H.
What are the key properties of 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).