N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine

C24H23F3N4O2S — CID 69441709

IUPACN-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ncc(C=Cc3cccc(C(F)(F)F)c3)cn2)cc1)C1CCNCC1
InChIInChI=1S/C24H23F3N4O2S/c25-24(26,27)19-3-1-2-17(14-19)4-5-18-15-29-23(30-16-18)31-20-6-8-21(9-7-20)34(32,33)22-10-12-28-13-11-22/h1-9,14-16,22,28H,10-13H2,(H,29,30,31)
InChIKeyJGFAICSUEXUFBC-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.94
Rot. Bonds6

About N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine

N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine (PubChem CID 69441709) has the molecular formula C24H23F3N4O2S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine
PubChem CID69441709
Molecular FormulaC24H23F3N4O2S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC NameN-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ncc(C=Cc3cccc(C(F)(F)F)c3)cn2)cc1)C1CCNCC1
InChIInChI=1S/C24H23F3N4O2S/c25-24(26,27)19-3-1-2-17(14-19)4-5-18-15-29-23(30-16-18)31-20-6-8-21(9-7-20)34(32,33)22-10-12-28-13-11-22/h1-9,14-16,22,28H,10-13H2,(H,29,30,31)
InChIKeyJGFAICSUEXUFBC-UHFFFAOYSA-N
XLogP4.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 16663033
N-[4-chloro-3-[2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 69442575
2-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 69446680
3-[2-[4-methyl-2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 69442412
4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one
CID 58901784
4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,3-dihydroindol-2-one;hydrochloride
CID 69443724
N-[(2E,4E)-5-piperidin-4-ylsulfonylhepta-2,4,6-trien-2-yl]-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine
CID 143457442
5-[(E)-2-(2H-benzotriazol-5-yl)ethenyl]-N-(4-cyclohexylsulfonylphenyl)pyrimidin-2-amine
CID 58901881
3-[2-[2-[4-piperazin-1-ylsulfonyl-3-(trifluoromethyl)anilino]pyrimidin-5-yl]ethenyl]phenol
CID 69441636
N-[3-[(E)-2-[2-[4-[4-(ethylamino)butan-2-ylsulfonyl]anilino]pyrimidin-5-yl]ethenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 162604894
3-[2-[2-[4-(1,4-diazepan-1-ylsulfonyl)anilino]pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 69443908
6-[(E)-2-[2-(4-cyclohexylsulfonylanilino)pyrimidin-5-yl]ethenyl]-1,2-benzoxazol-3-amine
CID 58901748

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine?
The IUPAC name of N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine (CID 69441709) is N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine?
The canonical SMILES for N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine is O=S(=O)(c1ccc(Nc2ncc(C=Cc3cccc(C(F)(F)F)c3)cn2)cc1)C1CCNCC1.
What is the InChIKey of N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine?
The InChIKey is JGFAICSUEXUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2S/c25-24(26,27)19-3-1-2-17(14-19)4-5-18-15-29-23(30-16-18)31-20-6-8-21(9-7-20)34(32,33)22-10-12-28-13-11-22/h1-9,14-16,22,28H,10-13H2,(H,29,30,31).
What are the key properties of N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine?
N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine has a molecular weight of 488.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 69441709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).