N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

C23H16F3N3O3S — CID 139753872

IUPACN-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C23H16F3N3O3S/c24-23(25,26)33(30,31)29-18-11-13-19(14-12-18)32-20-15-27-21(16-7-3-1-4-8-16)22(28-20)17-9-5-2-6-10-17/h1-15,29H
InChIKeyNGOKEBBOAFMOKB-UHFFFAOYSA-N
MW471.46 g/mol
LogP5.86
Rot. Bonds6

About N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139753872) has the molecular formula C23H16F3N3O3S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139753872
Molecular FormulaC23H16F3N3O3S
Molecular Weight471.46 g/mol
Exact Mass471.09
IUPAC NameN-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C23H16F3N3O3S/c24-23(25,26)33(30,31)29-18-11-13-19(14-12-18)32-20-15-27-21(16-7-3-1-4-8-16)22(28-20)17-9-5-2-6-10-17/h1-15,29H
InChIKeyNGOKEBBOAFMOKB-UHFFFAOYSA-N
XLogP5.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-Methoxyphenyl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]pyrazine
CID 172437704
N-[2-(4-tert-butylphenoxy)pyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 2728422
N-benzyl-N'-[2-(2-fluorophenoxy)pyridin-3-yl]sulfamide
CID 56877745
N-[4-(4-cyclohexylphenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10118038
2,2,2-trifluoro-N-[4-(4-phenylmethoxyphenoxy)phenyl]-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 10165299
N-[4-(4-cyclohexylphenoxy)phenyl]-1,1,1-trifluoro-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 10184899
1,1,1-trifluoro-N-[4-(4-phenylmethoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 10186042
N-[4-(4-benzylphenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10207812
N-[4-(4-benzylphenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 10207813
N-[4-(4-cyclohexylphenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 10278868
N-[4-(4-benzylphenoxy)phenyl]-1,1,1-trifluoro-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 10300494
N-(4-quinolin-8-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14127626

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (CID 139753872) is N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc(Oc2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is NGOKEBBOAFMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3S/c24-23(25,26)33(30,31)29-18-11-13-19(14-12-18)32-20-15-27-21(16-7-3-1-4-8-16)22(28-20)17-9-5-2-6-10-17/h1-15,29H.
What are the key properties of N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 471.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139753872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).