6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide

C16H8Cl2F3N3O4S — CID 67910560

IUPAC6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H8Cl2F3N3O4S/c17-9-5-11-12(6-10(9)18)23-14(25)13(22-11)15(26)24-29(27,28)8-3-1-2-7(4-8)16(19,20)21/h1-6H,(H,23,25)(H,24,26)
InChIKeyFXGWXRVBEAXRQE-UHFFFAOYSA-N
MW466.22 g/mol
LogP3.37
Rot. Bonds3

About 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide

6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide (PubChem CID 67910560) has the molecular formula C16H8Cl2F3N3O4S and a molecular weight of 466.22 g/mol. Its IUPAC name is 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide
PubChem CID67910560
Molecular FormulaC16H8Cl2F3N3O4S
Molecular Weight466.22 g/mol
Exact Mass464.96
IUPAC Name6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H8Cl2F3N3O4S/c17-9-5-11-12(6-10(9)18)23-14(25)13(22-11)15(26)24-29(27,28)8-3-1-2-7(4-8)16(19,20)21/h1-6H,(H,23,25)(H,24,26)
InChIKeyFXGWXRVBEAXRQE-UHFFFAOYSA-N
XLogP3.37
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide?
The IUPAC name of 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide (CID 67910560) is 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide?
The InChIKey is FXGWXRVBEAXRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3N3O4S/c17-9-5-11-12(6-10(9)18)23-14(25)13(22-11)15(26)24-29(27,28)8-3-1-2-7(4-8)16(19,20)21/h1-6H,(H,23,25)(H,24,26).
What are the key properties of 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide?
6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide has a molecular weight of 466.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67910560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).