4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C15H22ClF3N2O2S — CID 120719842

IUPAC4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(C)CCNCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2S.ClH/c1-11-3-4-12(9-13(11)15(16,17)18)23(21,22)20-10-14(2)5-7-19-8-6-14;/h3-4,9,19-20H,5-8,10H2,1-2H3;1H
InChIKeyYXSFLASGPMCIRD-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.10
Rot. Bonds4

About 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120719842) has the molecular formula C15H22ClF3N2O2S and a molecular weight of 386.87 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120719842
Molecular FormulaC15H22ClF3N2O2S
Molecular Weight386.87 g/mol
Exact Mass386.10
IUPAC Name4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(C)CCNCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2S.ClH/c1-11-3-4-12(9-13(11)15(16,17)18)23(21,22)20-10-14(2)5-7-19-8-6-14;/h3-4,9,19-20H,5-8,10H2,1-2H3;1H
InChIKeyYXSFLASGPMCIRD-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
N-[(4-methylpiperidin-4-yl)methyl]-4-nitro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720476
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120719842) is 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC2(C)CCNCC2)cc1C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is YXSFLASGPMCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S.ClH/c1-11-3-4-12(9-13(11)15(16,17)18)23(21,22)20-10-14(2)5-7-19-8-6-14;/h3-4,9,19-20H,5-8,10H2,1-2H3;1H.
What are the key properties of 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 386.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120719842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).