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

C16H10F3N3O4S — CID 67909877

IUPACN-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C16H10F3N3O4S/c17-16(18,19)9-6-7-11-12(8-9)20-13(14(23)21-11)15(24)22-27(25,26)10-4-2-1-3-5-10/h1-8H,(H,21,23)(H,22,24)
InChIKeyYJNCMLBUZSFFDK-UHFFFAOYSA-N
MW397.33 g/mol
LogP2.06
Rot. Bonds3

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

N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide (PubChem CID 67909877) has the molecular formula C16H10F3N3O4S and a molecular weight of 397.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide
PubChem CID67909877
Molecular FormulaC16H10F3N3O4S
Molecular Weight397.33 g/mol
Exact Mass397.03
IUPAC NameN-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C16H10F3N3O4S/c17-16(18,19)9-6-7-11-12(8-9)20-13(14(23)21-11)15(24)22-27(25,26)10-4-2-1-3-5-10/h1-8H,(H,21,23)(H,22,24)
InChIKeyYJNCMLBUZSFFDK-UHFFFAOYSA-N
XLogP2.06
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide (CID 67909877) is N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O.
What is the InChIKey of N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide?
The InChIKey is YJNCMLBUZSFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O4S/c17-16(18,19)9-6-7-11-12(8-9)20-13(14(23)21-11)15(24)22-27(25,26)10-4-2-1-3-5-10/h1-8H,(H,21,23)(H,22,24).
What are the key properties of N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide?
N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67909877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).