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

C13H20ClFN2O2S — CID 120585737

IUPAC2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCNC(C)C2)c(F)c1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-3-4-13(12(14)7-9)19(17,18)16-11-5-6-15-10(2)8-11;/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3;1H
InChIKeyORWSZMWMFOKOED-UHFFFAOYSA-N
MW322.83 g/mol
LogP1.97
Rot. Bonds3

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

2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120585737) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120585737
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC Name2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCNC(C)C2)c(F)c1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-3-4-13(12(14)7-9)19(17,18)16-11-5-6-15-10(2)8-11;/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3;1H
InChIKeyORWSZMWMFOKOED-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766
2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120585737) is 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCNC(C)C2)c(F)c1.Cl.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is ORWSZMWMFOKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-9-3-4-13(12(14)7-9)19(17,18)16-11-5-6-15-10(2)8-11;/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120585737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).