4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C14H22ClFN2O2S — CID 120586103

IUPAC4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNC(C)C2)cc(C)c1F.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-6-13(7-10(2)14(9)15)20(18,19)17-12-4-5-16-11(3)8-12;/h6-7,11-12,16-17H,4-5,8H2,1-3H3;1H
InChIKeyPKQDHZMYETZCHS-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.28
Rot. Bonds3

About 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120586103) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120586103
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC Name4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNC(C)C2)cc(C)c1F.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-6-13(7-10(2)14(9)15)20(18,19)17-12-4-5-16-11(3)8-12;/h6-7,11-12,16-17H,4-5,8H2,1-3H3;1H
InChIKeyPKQDHZMYETZCHS-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120586103) is 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC2CCNC(C)C2)cc(C)c1F.Cl.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is PKQDHZMYETZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-9-6-13(7-10(2)14(9)15)20(18,19)17-12-4-5-16-11(3)8-12;/h6-7,11-12,16-17H,4-5,8H2,1-3H3;1H.
What are the key properties of 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120586103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).