6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline

C13H14Cl2N2O4S — CID 22097012

IUPAC6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline
SMILESCCS(=O)(=O)Cc1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12
InChIInChI=1S/C13H14Cl2N2O4S/c1-4-22(18,19)6-7-10(15)8(14)5-9-11(7)17-13(21-3)12(16-9)20-2/h5H,4,6H2,1-3H3
InChIKeyZCBWODICBISKBX-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.89
Rot. Bonds5

About 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline

6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline (PubChem CID 22097012) has the molecular formula C13H14Cl2N2O4S and a molecular weight of 365.24 g/mol. Its IUPAC name is 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline
PubChem CID22097012
Molecular FormulaC13H14Cl2N2O4S
Molecular Weight365.24 g/mol
Exact Mass364.01
IUPAC Name6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline
SMILESCCS(=O)(=O)Cc1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12
InChIInChI=1S/C13H14Cl2N2O4S/c1-4-22(18,19)6-7-10(15)8(14)5-9-11(7)17-13(21-3)12(16-9)20-2/h5H,4,6H2,1-3H3
InChIKeyZCBWODICBISKBX-UHFFFAOYSA-N
XLogP2.89
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline?
The IUPAC name of 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline (CID 22097012) is 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline.
What is the SMILES notation for 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline?
The canonical SMILES for 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline is CCS(=O)(=O)Cc1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12.
What is the InChIKey of 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline?
The InChIKey is ZCBWODICBISKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4S/c1-4-22(18,19)6-7-10(15)8(14)5-9-11(7)17-13(21-3)12(16-9)20-2/h5H,4,6H2,1-3H3.
What are the key properties of 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline?
6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline has a molecular weight of 365.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(ethylsulfonylmethyl)-2,3-dimethoxyquinoxaline is sourced from PubChem (CID 22097012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).