2-(benzenesulfonyl)-6,7-dichloroquinoxaline

C14H8Cl2N2O2S — CID 70552660

IUPAC2-(benzenesulfonyl)-6,7-dichloroquinoxaline
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C14H8Cl2N2O2S/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)21(19,20)9-4-2-1-3-5-9/h1-8H
InChIKeyJKJXRRMQUVVWBD-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.77
Rot. Bonds2

About 2-(benzenesulfonyl)-6,7-dichloroquinoxaline

2-(benzenesulfonyl)-6,7-dichloroquinoxaline (PubChem CID 70552660) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6,7-dichloroquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6,7-dichloroquinoxaline
PubChem CID70552660
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name2-(benzenesulfonyl)-6,7-dichloroquinoxaline
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C14H8Cl2N2O2S/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)21(19,20)9-4-2-1-3-5-9/h1-8H
InChIKeyJKJXRRMQUVVWBD-UHFFFAOYSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-6,7-dichloroquinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-6,7-dichloroquinoxaline (CID 70552660) is 2-(benzenesulfonyl)-6,7-dichloroquinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-6,7-dichloroquinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-6,7-dichloroquinoxaline is O=S(=O)(c1ccccc1)c1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 2-(benzenesulfonyl)-6,7-dichloroquinoxaline?
The InChIKey is JKJXRRMQUVVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)21(19,20)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-(benzenesulfonyl)-6,7-dichloroquinoxaline?
2-(benzenesulfonyl)-6,7-dichloroquinoxaline has a molecular weight of 339.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-6,7-dichloroquinoxaline is sourced from PubChem (CID 70552660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).