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

C12H18ClFN2O2S — CID 120722663

IUPAC3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12,14-15H,5-6,8H2,1H3;1H
InChIKeyONRSXSBXEJRJAI-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.52
Rot. Bonds3

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

3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120722663) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120722663
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12,14-15H,5-6,8H2,1H3;1H
InChIKeyONRSXSBXEJRJAI-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120722663) is 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1cccc(F)c1.Cl.
What is the InChIKey of 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is ONRSXSBXEJRJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11;/h2-4,7,9,12,14-15H,5-6,8H2,1H3;1H.
What are the key properties of 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).