1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide

C18H17F3N4O5S — CID 56966623

IUPAC1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)C(F)(F)F)c(OC)c(OC)c1
InChIInChI=1S/C18H17F3N4O5S/c1-28-10-8-13(15(30-3)14(9-10)29-2)24-16-17(25-31(26,27)18(19,20)21)23-12-7-5-4-6-11(12)22-16/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyRUUSFPQUIHIEDX-UHFFFAOYSA-N
MW458.42 g/mol
LogP3.66
Rot. Bonds7

About 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide (PubChem CID 56966623) has the molecular formula C18H17F3N4O5S and a molecular weight of 458.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide
PubChem CID56966623
Molecular FormulaC18H17F3N4O5S
Molecular Weight458.42 g/mol
Exact Mass458.09
IUPAC Name1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)C(F)(F)F)c(OC)c(OC)c1
InChIInChI=1S/C18H17F3N4O5S/c1-28-10-8-13(15(30-3)14(9-10)29-2)24-16-17(25-31(26,27)18(19,20)21)23-12-7-5-4-6-11(12)22-16/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyRUUSFPQUIHIEDX-UHFFFAOYSA-N
XLogP3.66
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide (CID 56966623) is 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)C(F)(F)F)c(OC)c(OC)c1.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide?
The InChIKey is RUUSFPQUIHIEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O5S/c1-28-10-8-13(15(30-3)14(9-10)29-2)24-16-17(25-31(26,27)18(19,20)21)23-12-7-5-4-6-11(12)22-16/h4-9H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide has a molecular weight of 458.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 56966623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).