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

C12H13Cl2N3O2S — CID 22341047

IUPAC6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H13Cl2N3O2S/c1-6(2)15-11-12(20(3,18)19)17-10-5-8(14)7(13)4-9(10)16-11/h4-6H,1-3H3,(H,15,16)
InChIKeyJASTUQYCEYQYFW-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.16
Rot. Bonds3

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

6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine (PubChem CID 22341047) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
PubChem CID22341047
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine
SMILESCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI=1S/C12H13Cl2N3O2S/c1-6(2)15-11-12(20(3,18)19)17-10-5-8(14)7(13)4-9(10)16-11/h4-6H,1-3H3,(H,15,16)
InChIKeyJASTUQYCEYQYFW-UHFFFAOYSA-N
XLogP3.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine (CID 22341047) is 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine is CC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O.
What is the InChIKey of 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
The InChIKey is JASTUQYCEYQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-6(2)15-11-12(20(3,18)19)17-10-5-8(14)7(13)4-9(10)16-11/h4-6H,1-3H3,(H,15,16).
What are the key properties of 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine?
6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine has a molecular weight of 334.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methylsulfonyl-N-propan-2-ylquinoxalin-2-amine is sourced from PubChem (CID 22341047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).