2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol

C11H12BrN3O3S — CID 118726537

IUPAC2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
SMILESCS(=O)(=O)c1nc2ccc(Br)cc2nc1NCCO
InChIInChI=1S/C11H12BrN3O3S/c1-19(17,18)11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14)
InChIKeyRJNAHOXHYPQXRD-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.20
Rot. Bonds4

About 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol

2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol (PubChem CID 118726537) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
PubChem CID118726537
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC Name2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol
SMILESCS(=O)(=O)c1nc2ccc(Br)cc2nc1NCCO
InChIInChI=1S/C11H12BrN3O3S/c1-19(17,18)11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14)
InChIKeyRJNAHOXHYPQXRD-UHFFFAOYSA-N
XLogP1.20
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The IUPAC name of 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol (CID 118726537) is 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol is CS(=O)(=O)c1nc2ccc(Br)cc2nc1NCCO.
What is the InChIKey of 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
The InChIKey is RJNAHOXHYPQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-19(17,18)11-10(13-4-5-16)14-9-6-7(12)2-3-8(9)15-11/h2-3,6,16H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol?
2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol has a molecular weight of 346.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-3-methylsulfonylquinoxalin-2-yl)amino]ethanol is sourced from PubChem (CID 118726537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).