6-chloro-2-propan-2-ylsulfonylquinoxaline

C11H11ClN2O2S — CID 70550712

IUPAC6-chloro-2-propan-2-ylsulfonylquinoxaline
SMILESCC(C)S(=O)(=O)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C11H11ClN2O2S/c1-7(2)17(15,16)11-6-13-10-5-8(12)3-4-9(10)14-11/h3-7H,1-2H3
InChIKeyIJRHKILOOOPNPT-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.47
Rot. Bonds2

About 6-chloro-2-propan-2-ylsulfonylquinoxaline

6-chloro-2-propan-2-ylsulfonylquinoxaline (PubChem CID 70550712) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 6-chloro-2-propan-2-ylsulfonylquinoxaline.

Molecular Properties

Compound Name6-chloro-2-propan-2-ylsulfonylquinoxaline
PubChem CID70550712
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name6-chloro-2-propan-2-ylsulfonylquinoxaline
SMILESCC(C)S(=O)(=O)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C11H11ClN2O2S/c1-7(2)17(15,16)11-6-13-10-5-8(12)3-4-9(10)14-11/h3-7H,1-2H3
InChIKeyIJRHKILOOOPNPT-UHFFFAOYSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-ylsulfonylquinoxaline?
The IUPAC name of 6-chloro-2-propan-2-ylsulfonylquinoxaline (CID 70550712) is 6-chloro-2-propan-2-ylsulfonylquinoxaline.
What is the SMILES notation for 6-chloro-2-propan-2-ylsulfonylquinoxaline?
The canonical SMILES for 6-chloro-2-propan-2-ylsulfonylquinoxaline is CC(C)S(=O)(=O)c1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-propan-2-ylsulfonylquinoxaline?
The InChIKey is IJRHKILOOOPNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-7(2)17(15,16)11-6-13-10-5-8(12)3-4-9(10)14-11/h3-7H,1-2H3.
What are the key properties of 6-chloro-2-propan-2-ylsulfonylquinoxaline?
6-chloro-2-propan-2-ylsulfonylquinoxaline has a molecular weight of 270.74 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-ylsulfonylquinoxaline is sourced from PubChem (CID 70550712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).