N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine

C17H19F3N6O3S — CID 124567753

IUPACN-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine
SMILESCCCNS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cncn1C)C(F)(F)F
InChIInChI=1S/C17H19F3N6O3S/c1-3-8-22-30(27,28)25-15-16(24-12-7-5-4-6-11(12)23-15)29-14(17(18,19)20)13-9-21-10-26(13)2/h4-7,9-10,14,22H,3,8H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyNRSBQKOPSMQFQF-AWEZNQCLSA-N
MW444.44 g/mol
LogP2.70
Rot. Bonds8

About N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine

N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine (PubChem CID 124567753) has the molecular formula C17H19F3N6O3S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine
PubChem CID124567753
Molecular FormulaC17H19F3N6O3S
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC NameN-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine
SMILESCCCNS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cncn1C)C(F)(F)F
InChIInChI=1S/C17H19F3N6O3S/c1-3-8-22-30(27,28)25-15-16(24-12-7-5-4-6-11(12)23-15)29-14(17(18,19)20)13-9-21-10-26(13)2/h4-7,9-10,14,22H,3,8H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyNRSBQKOPSMQFQF-AWEZNQCLSA-N
XLogP2.70
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine?
The IUPAC name of N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine (CID 124567753) is N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine.
What is the SMILES notation for N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine?
The canonical SMILES for N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine is CCCNS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cncn1C)C(F)(F)F.
What is the InChIKey of N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine?
The InChIKey is NRSBQKOPSMQFQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N6O3S/c1-3-8-22-30(27,28)25-15-16(24-12-7-5-4-6-11(12)23-15)29-14(17(18,19)20)13-9-21-10-26(13)2/h4-7,9-10,14,22H,3,8H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine?
N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine has a molecular weight of 444.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethoxy]quinoxalin-2-amine is sourced from PubChem (CID 124567753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).