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

C14H19ClF4N2O2S — CID 120720362

IUPAC4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCNCC1.Cl
InChIInChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)10-2-3-12(15)11(8-10)14(16,17)18;/h2-3,8,19-20H,4-7,9H2,1H3;1H
InChIKeyZOESFJFJACVMKI-UHFFFAOYSA-N
MW390.83 g/mol
LogP2.93
Rot. Bonds4

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

4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120720362) has the molecular formula C14H19ClF4N2O2S and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120720362
Molecular FormulaC14H19ClF4N2O2S
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCNCC1.Cl
InChIInChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)10-2-3-12(15)11(8-10)14(16,17)18;/h2-3,8,19-20H,4-7,9H2,1H3;1H
InChIKeyZOESFJFJACVMKI-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
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-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
4-cyano-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120896081
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720121
4-fluoro-N-[[(3S)-piperidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 124698032

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120720362) is 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCNCC1.Cl.
What is the InChIKey of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ZOESFJFJACVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)10-2-3-12(15)11(8-10)14(16,17)18;/h2-3,8,19-20H,4-7,9H2,1H3;1H.
What are the key properties of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 390.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).