6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine

C13H15Cl2N3O2S — CID 22341111

IUPAC6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H15Cl2N3O2S/c1-7(2)18(3)12-13(21(4,19)20)17-11-6-9(15)8(14)5-10(11)16-12/h5-7H,1-4H3
InChIKeyVEVJCSFZKZWORX-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.18
Rot. Bonds3

About 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine

6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine (PubChem CID 22341111) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
PubChem CID22341111
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C13H15Cl2N3O2S/c1-7(2)18(3)12-13(21(4,19)20)17-11-6-9(15)8(14)5-10(11)16-12/h5-7H,1-4H3
InChIKeyVEVJCSFZKZWORX-UHFFFAOYSA-N
XLogP3.18
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.18
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
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-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131
6,7-dichloro-N-ethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341144
6,7-Dichloro-2-isopropyl-3-(methylsulfonyl)quinoxaline
CID 22341206

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine (CID 22341111) is 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine is CC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The InChIKey is VEVJCSFZKZWORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-7(2)18(3)12-13(21(4,19)20)17-11-6-9(15)8(14)5-10(11)16-12/h5-7H,1-4H3.
What are the key properties of 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine has a molecular weight of 348.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-methyl-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine is sourced from PubChem (CID 22341111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).