N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C10H9F3N4O2S — CID 166891131

IUPACN-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(c1c(N)ccc2nccnc12)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N4O2S/c1-17(20(18,19)10(11,12)13)9-6(14)2-3-7-8(9)16-5-4-15-7/h2-5H,14H2,1H3
InChIKeyMQLBDDGYBBDQAK-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.50
Rot. Bonds2

About N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 166891131) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID166891131
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC NameN-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(c1c(N)ccc2nccnc12)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N4O2S/c1-17(20(18,19)10(11,12)13)9-6(14)2-3-7-8(9)16-5-4-15-7/h2-5H,14H2,1H3
InChIKeyMQLBDDGYBBDQAK-UHFFFAOYSA-N
XLogP1.50
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 166891131) is N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(c1c(N)ccc2nccnc12)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is MQLBDDGYBBDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c1-17(20(18,19)10(11,12)13)9-6(14)2-3-7-8(9)16-5-4-15-7/h2-5H,14H2,1H3.
What are the key properties of N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 306.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminoquinoxalin-5-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 166891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).