1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide

C17H24F2N2O3S — CID 134058743

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-12(2)11-20(3)17(22)13-6-8-21(9-7-13)25(23,24)16-10-14(18)4-5-15(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyHLZLFBUHGZNNBP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 134058743) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID134058743
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-12(2)11-20(3)17(22)13-6-8-21(9-7-13)25(23,24)16-10-14(18)4-5-15(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyHLZLFBUHGZNNBP-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide (CID 134058743) is 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is HLZLFBUHGZNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-12(2)11-20(3)17(22)13-6-8-21(9-7-13)25(23,24)16-10-14(18)4-5-15(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.48, 5 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-methyl-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 134058743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).