N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C22H25F3N2O3S — CID 112759316

IUPACN-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(N(CCC(=O)N2CCCCC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-17-8-10-19(11-9-17)27(15-12-21(28)26-13-3-2-4-14-26)31(29,30)20-7-5-6-18(16-20)22(23,24)25/h5-11,16H,2-4,12-15H2,1H3
InChIKeyITHLTAJAAQXTNP-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.61
Rot. Bonds6

About N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 112759316) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID112759316
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC NameN-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(N(CCC(=O)N2CCCCC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-17-8-10-19(11-9-17)27(15-12-21(28)26-13-3-2-4-14-26)31(29,30)20-7-5-6-18(16-20)22(23,24)25/h5-11,16H,2-4,12-15H2,1H3
InChIKeyITHLTAJAAQXTNP-UHFFFAOYSA-N
XLogP4.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461
N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53278261
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
N-(2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 112788097
N-(4-methoxyphenyl)-3,4-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 18108554
ethyl 2-(4-fluoro-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)acetate
CID 52689632
N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42705241
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509758
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1106328
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 112759316) is N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(N(CCC(=O)N2CCCCC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ITHLTAJAAQXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c1-17-8-10-19(11-9-17)27(15-12-21(28)26-13-3-2-4-14-26)31(29,30)20-7-5-6-18(16-20)22(23,24)25/h5-11,16H,2-4,12-15H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 112759316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).