N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

C23H15ClF3N3O3S — CID 139753854

IUPACN-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C23H15ClF3N3O3S/c24-21-22(33-18-13-11-17(12-14-18)30-34(31,32)23(25,26)27)29-20(16-9-5-2-6-10-16)19(28-21)15-7-3-1-4-8-15/h1-14,30H
InChIKeyTVEIVSJLRHSORO-UHFFFAOYSA-N
MW505.91 g/mol
LogP6.52
Rot. Bonds6

About N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139753854) has the molecular formula C23H15ClF3N3O3S and a molecular weight of 505.91 g/mol. Its IUPAC name is N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139753854
Molecular FormulaC23H15ClF3N3O3S
Molecular Weight505.91 g/mol
Exact Mass505.05
IUPAC NameN-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C23H15ClF3N3O3S/c24-21-22(33-18-13-11-17(12-14-18)30-34(31,32)23(25,26)27)29-20(16-9-5-2-6-10-16)19(28-21)15-7-3-1-4-8-15/h1-14,30H
InChIKeyTVEIVSJLRHSORO-UHFFFAOYSA-N
XLogP6.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753817
N-[4-(5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753872
Ethyl 3-[5,6-diphenyl-3-[4-(trifluoromethylsulfonylamino)phenoxy]pyrazin-2-yl]propanoate
CID 139753891

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (CID 139753854) is N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)c(-c3ccccc3)nc2Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is TVEIVSJLRHSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O3S/c24-21-22(33-18-13-11-17(12-14-18)30-34(31,32)23(25,26)27)29-20(16-9-5-2-6-10-16)19(28-21)15-7-3-1-4-8-15/h1-14,30H.
What are the key properties of N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 505.91 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139753854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).