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

C14H18F4N2O2S — CID 120720257

IUPAC4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCNCC1
InChIInChI=1S/C14H18F4N2O2S/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-3-2-10(15)8-11(12)14(16,17)18/h2-3,8,19-20H,4-7,9H2,1H3
InChIKeyDLZNKGMPVDWCNG-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.51
Rot. Bonds4

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

4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 120720257) has the molecular formula C14H18F4N2O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID120720257
Molecular FormulaC14H18F4N2O2S
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCNCC1
InChIInChI=1S/C14H18F4N2O2S/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-3-2-10(15)8-11(12)14(16,17)18/h2-3,8,19-20H,4-7,9H2,1H3
InChIKeyDLZNKGMPVDWCNG-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylpiperidin-4-yl)methyl]-4-nitro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720476
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
2-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720518
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
2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720825
4-bromo-5-chloro-2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720356
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 120720257) is 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCNCC1.
What is the InChIKey of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DLZNKGMPVDWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O2S/c1-13(4-6-19-7-5-13)9-20-23(21,22)12-3-2-10(15)8-11(12)14(16,17)18/h2-3,8,19-20H,4-7,9H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 354.37 g/mol, XLogP of 2.51, 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]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).