2-(benzenesulfonyl)-7-chloroquinoxaline

C14H9ClN2O2S — CID 70552396

IUPAC2-(benzenesulfonyl)-7-chloroquinoxaline
SMILESO=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2n1
InChIInChI=1S/C14H9ClN2O2S/c15-10-6-7-12-13(8-10)17-14(9-16-12)20(18,19)11-4-2-1-3-5-11/h1-9H
InChIKeyFSVCKVCNFLGHTI-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.12
Rot. Bonds2

About 2-(benzenesulfonyl)-7-chloroquinoxaline

2-(benzenesulfonyl)-7-chloroquinoxaline (PubChem CID 70552396) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-7-chloroquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-7-chloroquinoxaline
PubChem CID70552396
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name2-(benzenesulfonyl)-7-chloroquinoxaline
SMILESO=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2n1
InChIInChI=1S/C14H9ClN2O2S/c15-10-6-7-12-13(8-10)17-14(9-16-12)20(18,19)11-4-2-1-3-5-11/h1-9H
InChIKeyFSVCKVCNFLGHTI-UHFFFAOYSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-7-chloroquinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-7-chloroquinoxaline (CID 70552396) is 2-(benzenesulfonyl)-7-chloroquinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-7-chloroquinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-7-chloroquinoxaline is O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2n1.
What is the InChIKey of 2-(benzenesulfonyl)-7-chloroquinoxaline?
The InChIKey is FSVCKVCNFLGHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-10-6-7-12-13(8-10)17-14(9-16-12)20(18,19)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 2-(benzenesulfonyl)-7-chloroquinoxaline?
2-(benzenesulfonyl)-7-chloroquinoxaline has a molecular weight of 304.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-7-chloroquinoxaline is sourced from PubChem (CID 70552396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).