quinoxaline-6-sulfonyl chloride

C8H5ClN2O2S — CID 22324280

IUPACquinoxaline-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nccnc2c1
InChIInChI=1S/C8H5ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
InChIKeyLFUMOHGAJQHAKV-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.56
Rot. Bonds1

About quinoxaline-6-sulfonyl chloride

quinoxaline-6-sulfonyl chloride (PubChem CID 22324280) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is quinoxaline-6-sulfonyl chloride.

Molecular Properties

Compound Namequinoxaline-6-sulfonyl chloride
PubChem CID22324280
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Namequinoxaline-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2nccnc2c1
InChIInChI=1S/C8H5ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
InChIKeyLFUMOHGAJQHAKV-UHFFFAOYSA-N
XLogP1.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of quinoxaline-6-sulfonyl chloride?
The IUPAC name of quinoxaline-6-sulfonyl chloride (CID 22324280) is quinoxaline-6-sulfonyl chloride.
What is the SMILES notation for quinoxaline-6-sulfonyl chloride?
The canonical SMILES for quinoxaline-6-sulfonyl chloride is O=S(=O)(Cl)c1ccc2nccnc2c1.
What is the InChIKey of quinoxaline-6-sulfonyl chloride?
The InChIKey is LFUMOHGAJQHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H.
What are the key properties of quinoxaline-6-sulfonyl chloride?
quinoxaline-6-sulfonyl chloride has a molecular weight of 228.66 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-6-sulfonyl chloride is sourced from PubChem (CID 22324280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).