N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

C20H20F4N2O3S — CID 43017866

IUPACN-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H20F4N2O3S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)19(27)26-10-2-3-14(12-26)20(22,23)24/h4-9,11,14,25H,2-3,10,12H2,1H3
InChIKeyUIFOSHFFJNJCMA-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.35
Rot. Bonds4

About N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide

N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43017866) has the molecular formula C20H20F4N2O3S and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43017866
Molecular FormulaC20H20F4N2O3S
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H20F4N2O3S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)19(27)26-10-2-3-14(12-26)20(22,23)24/h4-9,11,14,25H,2-3,10,12H2,1H3
InChIKeyUIFOSHFFJNJCMA-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017867
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
3-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119414668
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
3-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 60611163
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 2346750
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 43017866) is N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is UIFOSHFFJNJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3S/c1-13-4-9-17(30(28,29)25-16-7-5-15(21)6-8-16)11-18(13)19(27)26-10-2-3-14(12-26)20(22,23)24/h4-9,11,14,25H,2-3,10,12H2,1H3.
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide?
N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 444.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43017866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).