2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline

C18H17ClN2O2S — CID 70549795

IUPAC2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-18(2,3)12-4-7-14(8-5-12)24(22,23)17-11-20-16-10-13(19)6-9-15(16)21-17/h4-11H,1-3H3
InChIKeyAWFQEBYKKCZEKS-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline

2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline (PubChem CID 70549795) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
PubChem CID70549795
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-18(2,3)12-4-7-14(8-5-12)24(22,23)17-11-20-16-10-13(19)6-9-15(16)21-17/h4-11H,1-3H3
InChIKeyAWFQEBYKKCZEKS-UHFFFAOYSA-N
XLogP4.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline (CID 70549795) is 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline is CC(C)(C)c1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline?
The InChIKey is AWFQEBYKKCZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-18(2,3)12-4-7-14(8-5-12)24(22,23)17-11-20-16-10-13(19)6-9-15(16)21-17/h4-11H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline?
2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline has a molecular weight of 360.87 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline is sourced from PubChem (CID 70549795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).