1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide

C21H24F2N2O3S — CID 55918606

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C21H24F2N2O3S/c1-14-4-5-15(2)19(12-14)24(3)21(26)16-8-10-25(11-9-16)29(27,28)20-13-17(22)6-7-18(20)23/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyWAHFKRMPULBMSF-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.65
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55918606) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID55918606
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C21H24F2N2O3S/c1-14-4-5-15(2)19(12-14)24(3)21(26)16-8-10-25(11-9-16)29(27,28)20-13-17(22)6-7-18(20)23/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyWAHFKRMPULBMSF-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 15988989
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 55388525
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100780406
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 33081307
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide (CID 55918606) is 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide is Cc1ccc(C)c(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WAHFKRMPULBMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-14-4-5-15(2)19(12-14)24(3)21(26)16-8-10-25(11-9-16)29(27,28)20-13-17(22)6-7-18(20)23/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55918606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).