3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 119965604

IUPAC3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1c(F)cccc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-12(14)4-3-5-13(10)19(17,18)16(2)11-6-8-15-9-7-11;/h3-5,11,15H,6-9H2,1-2H3;1H
InChIKeyFGTFODHDCWABBJ-UHFFFAOYSA-N
MW322.83 g/mol
LogP1.93
Rot. Bonds3

About 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119965604) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119965604
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCc1c(F)cccc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-12(14)4-3-5-13(10)19(17,18)16(2)11-6-8-15-9-7-11;/h3-5,11,15H,6-9H2,1-2H3;1H
InChIKeyFGTFODHDCWABBJ-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965866
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
3-fluoro-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966783
3-bromo-2-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120999700
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
CID 119966041
N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119965607
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119965604) is 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cc1c(F)cccc1S(=O)(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is FGTFODHDCWABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-10-12(14)4-3-5-13(10)19(17,18)16(2)11-6-8-15-9-7-11;/h3-5,11,15H,6-9H2,1-2H3;1H.
What are the key properties of 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).