6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

C10H7Cl2N3O4S — CID 67910286

IUPAC6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)13-6-3-4(11)2-5(12)7(6)14-8/h2-3H,1H3,(H,13,16)(H,15,17)
InChIKeyGWGQKYOLBNAJCG-UHFFFAOYSA-N
MW336.16 g/mol
LogP0.92
Rot. Bonds2

About 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 67910286) has the molecular formula C10H7Cl2N3O4S and a molecular weight of 336.16 g/mol. Its IUPAC name is 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID67910286
Molecular FormulaC10H7Cl2N3O4S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)13-6-3-4(11)2-5(12)7(6)14-8/h2-3H,1H3,(H,13,16)(H,15,17)
InChIKeyGWGQKYOLBNAJCG-UHFFFAOYSA-N
XLogP0.92
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 67910286) is 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is CS(=O)(=O)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is GWGQKYOLBNAJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)13-6-3-4(11)2-5(12)7(6)14-8/h2-3H,1H3,(H,13,16)(H,15,17).
What are the key properties of 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 336.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67910286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).