N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H24F2N2O3S — CID 1211082

IUPACN-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c(C)c1
InChIInChI=1S/C21H24F2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-8-6-16(7-9-25)21(26)24-19-5-4-17(22)12-18(19)23/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,26)
InChIKeyXWZIIWIUSTYWTK-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.93
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1211082) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1211082
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c(C)c1
InChIInChI=1S/C21H24F2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-8-6-16(7-9-25)21(26)24-19-5-4-17(22)12-18(19)23/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,26)
InChIKeyXWZIIWIUSTYWTK-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
N-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591915
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
1-(4-tert-butylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 26681397
N-(2,4-difluorophenyl)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351408
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2200897
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1211082) is N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c(C)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XWZIIWIUSTYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-8-6-16(7-9-25)21(26)24-19-5-4-17(22)12-18(19)23/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1211082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).