2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H19ClF4N2O2S — CID 120719849

IUPAC2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCNCC1.Cl
InChIInChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-8-10(14(16,17)18)2-3-11(12)15;/h2-3,8,19-20H,4-7,9H2,1H3;1H
InChIKeyFZDBDIHOHFOJQP-UHFFFAOYSA-N
MW390.83 g/mol
LogP2.93
Rot. Bonds4

About 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120719849) has the molecular formula C14H19ClF4N2O2S and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120719849
Molecular FormulaC14H19ClF4N2O2S
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCNCC1.Cl
InChIInChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-8-10(14(16,17)18)2-3-11(12)15;/h2-3,8,19-20H,4-7,9H2,1H3;1H
InChIKeyFZDBDIHOHFOJQP-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-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 120720257
2-fluoro-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 119966645
4-bromo-5-chloro-2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720356
N-[(4-methylpiperidin-4-yl)methyl]-4-nitro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720476
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120719963
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120719849) is 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCNCC1.Cl.
What is the InChIKey of 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is FZDBDIHOHFOJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O2S.ClH/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-8-10(14(16,17)18)2-3-11(12)15;/h2-3,8,19-20H,4-7,9H2,1H3;1H.
What are the key properties of 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(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 2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120719849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).