6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline

C12H12Cl2N2O2S2 — CID 22341065

IUPAC6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline
SMILESCC(C)Sc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H12Cl2N2O2S2/c1-6(2)19-11-12(20(3,17)18)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3
InChIKeyGLYAFWXRPXOSQB-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.84
Rot. Bonds3

About 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline

6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline (PubChem CID 22341065) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline
PubChem CID22341065
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline
SMILESCC(C)Sc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H12Cl2N2O2S2/c1-6(2)19-11-12(20(3,17)18)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3
InChIKeyGLYAFWXRPXOSQB-UHFFFAOYSA-N
XLogP3.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 16007289
2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
6,7-Dichloro-2-methanesulfonyl-3-trifluoromethylquinoxaline
CID 9862981
6,7-Dichloro-2-isopropyl-3-(5-methyl-1,3,4-thiadiazol-2-ylsulfonyl)quinoxaline
CID 9909122
N-sec-butyl-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341045
6,7-dichloro-N-isopropyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341047
6,7-dichloro-N,N-dimethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341109
6,7-dichloro-N-isopropyl-N-methyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341111
6,7-Dichloro-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131
2-(4-(Methylsulfonyl)benzylsulfonyl)-6,7-dichloro-3-isopropylquinoxaline
CID 22341135
6,7-dichloro-N-ethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341144

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline?
The IUPAC name of 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline (CID 22341065) is 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline is CC(C)Sc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline?
The InChIKey is GLYAFWXRPXOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-6(2)19-11-12(20(3,17)18)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3.
What are the key properties of 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline?
6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline has a molecular weight of 351.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfonyl-3-propan-2-ylsulfanylquinoxaline is sourced from PubChem (CID 22341065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).