2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide

C19H18F4N2O3S — CID 146089966

IUPAC2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)ccc1F
InChIInChI=1S/C19H18F4N2O3S/c20-16-6-5-13(11-17(16)29(24,27)28)18(26)25-9-7-12(8-10-25)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2,(H2,24,27,28)
InChIKeyDGQQHEKJTNOSEE-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.51
Rot. Bonds3

About 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide

2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 146089966) has the molecular formula C19H18F4N2O3S and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID146089966
Molecular FormulaC19H18F4N2O3S
Molecular Weight430.42 g/mol
Exact Mass430.10
IUPAC Name2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)ccc1F
InChIInChI=1S/C19H18F4N2O3S/c20-16-6-5-13(11-17(16)29(24,27)28)18(26)25-9-7-12(8-10-25)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2,(H2,24,27,28)
InChIKeyDGQQHEKJTNOSEE-UHFFFAOYSA-N
XLogP3.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 54171274
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64723144
1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone
CID 159352766
(3,4-difluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 46424509
2,3-dihydro-1H-triazol-2-ium-4-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163928926
(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 123918602
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95193737
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
4-(1-benzoylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 66560314
(6-tert-butylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 86270150
(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872336

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide (CID 146089966) is 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is DGQQHEKJTNOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3S/c20-16-6-5-13(11-17(16)29(24,27)28)18(26)25-9-7-12(8-10-25)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2,(H2,24,27,28).
What are the key properties of 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide?
2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 430.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 146089966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).