7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide

C11H8Cl2N2O2S — CID 22341151

IUPAC7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide
SMILESO=S1(=O)CCCc2nc3cc(Cl)c(Cl)cc3nc21
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-4-9-10(5-7(6)13)15-11-8(14-9)2-1-3-18(11,16)17/h4-5H,1-3H2
InChIKeyOEFSHHVWJGFWJX-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.66
Rot. Bonds

About 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide

7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide (PubChem CID 22341151) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide.

Molecular Properties

Compound Name7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide
PubChem CID22341151
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide
SMILESO=S1(=O)CCCc2nc3cc(Cl)c(Cl)cc3nc21
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-4-9-10(5-7(6)13)15-11-8(14-9)2-1-3-18(11,16)17/h4-5H,1-3H2
InChIKeyOEFSHHVWJGFWJX-UHFFFAOYSA-N
XLogP2.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide?
The IUPAC name of 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide (CID 22341151) is 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide.
What is the SMILES notation for 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide?
The canonical SMILES for 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide is O=S1(=O)CCCc2nc3cc(Cl)c(Cl)cc3nc21.
What is the InChIKey of 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide?
The InChIKey is OEFSHHVWJGFWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-6-4-9-10(5-7(6)13)15-11-8(14-9)2-1-3-18(11,16)17/h4-5H,1-3H2.
What are the key properties of 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide?
7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide has a molecular weight of 303.17 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide is sourced from PubChem (CID 22341151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).