1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide

C18H24F2N6O2S — CID 122254658

IUPAC1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H24F2N6O2S/c1-25(2)17-22-16(23-18(24-17)26-6-4-3-5-7-26)11-21-29(27,28)12-13-8-14(19)10-15(20)9-13/h8-10,21H,3-7,11-12H2,1-2H3
InChIKeyAKZAKEYDEPGSPC-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.83
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide (PubChem CID 122254658) has the molecular formula C18H24F2N6O2S and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide
PubChem CID122254658
Molecular FormulaC18H24F2N6O2S
Molecular Weight426.49 g/mol
Exact Mass426.16
IUPAC Name1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1nc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H24F2N6O2S/c1-25(2)17-22-16(23-18(24-17)26-6-4-3-5-7-26)11-21-29(27,28)12-13-8-14(19)10-15(20)9-13/h8-10,21H,3-7,11-12H2,1-2H3
InChIKeyAKZAKEYDEPGSPC-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 122254225
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 122254665
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]methanesulfonamide
CID 122322658
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122254931
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122254411
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 121138015
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
1-(3,4-difluorophenyl)-3-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]urea
CID 122254255
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 122254556
N-[[5-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122254403
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide (CID 122254658) is 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide is CN(C)c1nc(CNS(=O)(=O)Cc2cc(F)cc(F)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide?
The InChIKey is AKZAKEYDEPGSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N6O2S/c1-25(2)17-22-16(23-18(24-17)26-6-4-3-5-7-26)11-21-29(27,28)12-13-8-14(19)10-15(20)9-13/h8-10,21H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 122254658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).