6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

C15H8Cl2FN3O4S — CID 67909964

IUPAC6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C15H8Cl2FN3O4S/c16-9-5-11-12(6-10(9)17)20-14(22)13(19-11)15(23)21-26(24,25)8-3-1-7(18)2-4-8/h1-6H,(H,20,22)(H,21,23)
InChIKeyMQSKYYQGBCYYDO-UHFFFAOYSA-N
MW416.22 g/mol
LogP2.49
Rot. Bonds3

About 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 67909964) has the molecular formula C15H8Cl2FN3O4S and a molecular weight of 416.22 g/mol. Its IUPAC name is 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID67909964
Molecular FormulaC15H8Cl2FN3O4S
Molecular Weight416.22 g/mol
Exact Mass414.96
IUPAC Name6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C15H8Cl2FN3O4S/c16-9-5-11-12(6-10(9)17)20-14(22)13(19-11)15(23)21-26(24,25)8-3-1-7(18)2-4-8/h1-6H,(H,20,22)(H,21,23)
InChIKeyMQSKYYQGBCYYDO-UHFFFAOYSA-N
XLogP2.49
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 67909964) is 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is MQSKYYQGBCYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O4S/c16-9-5-11-12(6-10(9)17)20-14(22)13(19-11)15(23)21-26(24,25)8-3-1-7(18)2-4-8/h1-6H,(H,20,22)(H,21,23).
What are the key properties of 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 416.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67909964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).