1,4-dihydroquinoxaline-6-sulfonyl chloride

C8H7ClN2O2S — CID 19958575

IUPAC1,4-dihydroquinoxaline-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)NC=CN2
InChIInChI=1S/C8H7ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,10-11H
InChIKeyZQFNIOYWWMQEBT-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.92
Rot. Bonds1

About 1,4-dihydroquinoxaline-6-sulfonyl chloride

1,4-dihydroquinoxaline-6-sulfonyl chloride (PubChem CID 19958575) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 1,4-dihydroquinoxaline-6-sulfonyl chloride.

Molecular Properties

Compound Name1,4-dihydroquinoxaline-6-sulfonyl chloride
PubChem CID19958575
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name1,4-dihydroquinoxaline-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)NC=CN2
InChIInChI=1S/C8H7ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,10-11H
InChIKeyZQFNIOYWWMQEBT-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
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2-oxo-1,3-dihydroindole-5-sulfonyl chloride
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2-oxo-1,4-dihydro-3,1-benzoxazine-7-sulfonyl chloride
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2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
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6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinoxaline-6-sulfonyl chloride?
The IUPAC name of 1,4-dihydroquinoxaline-6-sulfonyl chloride (CID 19958575) is 1,4-dihydroquinoxaline-6-sulfonyl chloride.
What is the SMILES notation for 1,4-dihydroquinoxaline-6-sulfonyl chloride?
The canonical SMILES for 1,4-dihydroquinoxaline-6-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)NC=CN2.
What is the InChIKey of 1,4-dihydroquinoxaline-6-sulfonyl chloride?
The InChIKey is ZQFNIOYWWMQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-14(12,13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,10-11H.
What are the key properties of 1,4-dihydroquinoxaline-6-sulfonyl chloride?
1,4-dihydroquinoxaline-6-sulfonyl chloride has a molecular weight of 230.68 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinoxaline-6-sulfonyl chloride is sourced from PubChem (CID 19958575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).