6,7-dichloro-3-methylsulfonylquinoxalin-2-amine

C9H7Cl2N3O2S — CID 22341203

IUPAC6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N
InChIInChI=1S/C9H7Cl2N3O2S/c1-17(15,16)9-8(12)13-6-2-4(10)5(11)3-7(6)14-9/h2-3H,1H3,(H2,12,13)
InChIKeyOIBUBJHZBKQANO-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.92
Rot. Bonds1

About 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine

6,7-dichloro-3-methylsulfonylquinoxalin-2-amine (PubChem CID 22341203) has the molecular formula C9H7Cl2N3O2S and a molecular weight of 292.15 g/mol. Its IUPAC name is 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
PubChem CID22341203
Molecular FormulaC9H7Cl2N3O2S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N
InChIInChI=1S/C9H7Cl2N3O2S/c1-17(15,16)9-8(12)13-6-2-4(10)5(11)3-7(6)14-9/h2-3H,1H3,(H2,12,13)
InChIKeyOIBUBJHZBKQANO-UHFFFAOYSA-N
XLogP1.92
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 16007289
3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
N-butyl-7-chloro-3-methylsulfonylquinoxalin-2-amine
CID 118726539
7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
CID 118726540
7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
CID 118726542
6,7-Dichloro-2-methanesulfonyl-3-trifluoromethylquinoxaline
CID 9862981
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
6,7-Dichloro-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine (CID 22341203) is 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine is CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N.
What is the InChIKey of 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is OIBUBJHZBKQANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2S/c1-17(15,16)9-8(12)13-6-2-4(10)5(11)3-7(6)14-9/h2-3H,1H3,(H2,12,13).
What are the key properties of 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine?
6,7-dichloro-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 292.15 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 22341203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).