6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline

C12H12Cl2N2O2S — CID 22341131

IUPAC6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline
SMILESCCCc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H12Cl2N2O2S/c1-3-4-9-12(19(2,17)18)16-11-6-8(14)7(13)5-10(11)15-9/h5-6H,3-4H2,1-2H3
InChIKeyMCLNCJWPYFBPGM-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.29
Rot. Bonds3

About 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline

6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline (PubChem CID 22341131) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline
PubChem CID22341131
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC Name6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline
SMILESCCCc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H12Cl2N2O2S/c1-3-4-9-12(19(2,17)18)16-11-6-8(14)7(13)5-10(11)15-9/h5-6H,3-4H2,1-2H3
InChIKeyMCLNCJWPYFBPGM-UHFFFAOYSA-N
XLogP3.29
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-2-(isopropylthio)-3-(methylsulfonyl)quinoxaline
CID 22341065
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
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-propylquinoxaline?
The IUPAC name of 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline (CID 22341131) is 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline is CCCc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline?
The InChIKey is MCLNCJWPYFBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c1-3-4-9-12(19(2,17)18)16-11-6-8(14)7(13)5-10(11)15-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline?
6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline has a molecular weight of 319.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfonyl-3-propylquinoxaline is sourced from PubChem (CID 22341131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).