2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C19H20F4N2O2S — CID 171913966

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccccc2-c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F4N2O2S/c1-25-10-8-14(9-11-25)24-28(26,27)18-5-3-2-4-15(18)13-6-7-17(20)16(12-13)19(21,22)23/h2-7,12,14,24H,8-11H2,1H3
InChIKeyMJEZBSZILZIXLH-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.88
Rot. Bonds4

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 171913966) has the molecular formula C19H20F4N2O2S and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID171913966
Molecular FormulaC19H20F4N2O2S
Molecular Weight416.44 g/mol
Exact Mass416.12
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccccc2-c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F4N2O2S/c1-25-10-8-14(9-11-25)24-28(26,27)18-5-3-2-4-15(18)13-6-7-17(20)16(12-13)19(21,22)23/h2-7,12,14,24H,8-11H2,1H3
InChIKeyMJEZBSZILZIXLH-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154281676
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 171914789
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90314561
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156
4-[[4-(2,6-dimethylphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154079643
3-[2-[[4-(2-fluorophenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 69186819
3-[2-[[4-(2-fluorophenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]propanoic acid
CID 25026468
3-[4-[[4-(2,3-dichlorophenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 24955649

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 171913966) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2ccccc2-c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is MJEZBSZILZIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O2S/c1-25-10-8-14(9-11-25)24-28(26,27)18-5-3-2-4-15(18)13-6-7-17(20)16(12-13)19(21,22)23/h2-7,12,14,24H,8-11H2,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 416.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 171913966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).