N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C23H20F4N2O3S — CID 43872886

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H20F4N2O3S/c24-21-10-8-18(13-20(21)23(25,26)27)28-22(30)17-6-3-11-29(14-17)33(31,32)19-9-7-15-4-1-2-5-16(15)12-19/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2,(H,28,30)
InChIKeySMROUZFYGAMFPL-UHFFFAOYSA-N
MW480.48 g/mol
LogP5.04
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43872886) has the molecular formula C23H20F4N2O3S and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43872886
Molecular FormulaC23H20F4N2O3S
Molecular Weight480.48 g/mol
Exact Mass480.11
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H20F4N2O3S/c24-21-10-8-18(13-20(21)23(25,26)27)28-22(30)17-6-3-11-29(14-17)33(31,32)19-9-7-15-4-1-2-5-16(15)12-19/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2,(H,28,30)
InChIKeySMROUZFYGAMFPL-UHFFFAOYSA-N
XLogP5.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 28550024
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
(3S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28549944
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159790
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3S)-N'-(4-fluorobenzoyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 1446050

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 43872886) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SMROUZFYGAMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O3S/c24-21-10-8-18(13-20(21)23(25,26)27)28-22(30)17-6-3-11-29(14-17)33(31,32)19-9-7-15-4-1-2-5-16(15)12-19/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2,(H,28,30).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43872886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).