N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide

C15H10FN3O4S — CID 67909986

IUPACN-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C15H10FN3O4S/c16-9-6-7-11-12(8-9)17-13(14(20)18-11)15(21)19-24(22,23)10-4-2-1-3-5-10/h1-8H,(H,18,20)(H,19,21)
InChIKeyTWSFBZRTCLBGJR-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.18
Rot. Bonds3

About N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide

N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 67909986) has the molecular formula C15H10FN3O4S and a molecular weight of 347.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID67909986
Molecular FormulaC15H10FN3O4S
Molecular Weight347.33 g/mol
Exact Mass347.04
IUPAC NameN-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C15H10FN3O4S/c16-9-6-7-11-12(8-9)17-13(14(20)18-11)15(21)19-24(22,23)10-4-2-1-3-5-10/h1-8H,(H,18,20)(H,19,21)
InChIKeyTWSFBZRTCLBGJR-UHFFFAOYSA-N
XLogP1.18
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide (CID 67909986) is N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1nc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is TWSFBZRTCLBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O4S/c16-9-6-7-11-12(8-9)17-13(14(20)18-11)15(21)19-24(22,23)10-4-2-1-3-5-10/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide?
N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-7-fluoro-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67909986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).