N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide

C15H9F2N3O4S — CID 67910334

IUPACN-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)cc2[nH]c1=O
InChIInChI=1S/C15H9F2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)
InChIKeyHZBASXHPONJEBK-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.32
Rot. Bonds3

About N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide

N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 67910334) has the molecular formula C15H9F2N3O4S and a molecular weight of 365.32 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID67910334
Molecular FormulaC15H9F2N3O4S
Molecular Weight365.32 g/mol
Exact Mass365.03
IUPAC NameN-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)cc2[nH]c1=O
InChIInChI=1S/C15H9F2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)
InChIKeyHZBASXHPONJEBK-UHFFFAOYSA-N
XLogP1.32
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide (CID 67910334) is N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)cc2[nH]c1=O.
What is the InChIKey of N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is HZBASXHPONJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22).
What are the key properties of N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide?
N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67910334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).