N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C19H20F3N7O3S — CID 67016075

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(Nc2nc(OCC(F)(F)F)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C19H20F3N7O3S/c20-19(21,22)12-32-18-26-16(25-17(27-18)28-11-8-23-13-28)24-14-6-9-29(10-7-14)33(30,31)15-4-2-1-3-5-15/h1-5,8,11,13-14H,6-7,9-10,12H2,(H,24,25,26,27)
InChIKeyCVCGCHVBPWVTSH-UHFFFAOYSA-N
MW483.48 g/mol
LogP2.26
Rot. Bonds7

About N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 67016075) has the molecular formula C19H20F3N7O3S and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID67016075
Molecular FormulaC19H20F3N7O3S
Molecular Weight483.48 g/mol
Exact Mass483.13
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(Nc2nc(OCC(F)(F)F)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C19H20F3N7O3S/c20-19(21,22)12-32-18-26-16(25-17(27-18)28-11-8-23-13-28)24-14-6-9-29(10-7-14)33(30,31)15-4-2-1-3-5-15/h1-5,8,11,13-14H,6-7,9-10,12H2,(H,24,25,26,27)
InChIKeyCVCGCHVBPWVTSH-UHFFFAOYSA-N
XLogP2.26
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
2-N-[1-(benzenesulfonyl)piperidin-4-yl]-2-N-methyl-6-(2,2,2-trifluoroethoxy)-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 143835283
4-N-(2-methoxy-4-pyridinyl)-2-N-(1-methylsulfonylpiperidin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040441
5-[[4-[(1-methylsulfonylpiperidin-4-yl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]isoindole-1,3-dione
CID 58039796
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
2-N-(1-methylsulfonylpiperidin-4-yl)-4-N-(2-pyrrolidin-1-ylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040225
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-imidazol-1-ylpyridazine
CID 90539599
1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56676016
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 67016075) is N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is O=S(=O)(c1ccccc1)N1CCC(Nc2nc(OCC(F)(F)F)nc(-n3ccnc3)n2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is CVCGCHVBPWVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O3S/c20-19(21,22)12-32-18-26-16(25-17(27-18)28-11-8-23-13-28)24-14-6-9-29(10-7-14)33(30,31)15-4-2-1-3-5-15/h1-5,8,11,13-14H,6-7,9-10,12H2,(H,24,25,26,27).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 483.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 67016075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).