1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide

C16H12F3N3O4S — CID 139753884

IUPAC1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide
SMILESCOc1nc2ccccc2nc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O4S/c1-25-14-15(21-13-5-3-2-4-12(13)20-14)26-11-8-6-10(7-9-11)22-27(23,24)16(17,18)19/h2-9,22H,1H3
InChIKeyUTLYPYCCQLNGJL-UHFFFAOYSA-N
MW399.35 g/mol
LogP3.69
Rot. Bonds5

About 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide

1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide (PubChem CID 139753884) has the molecular formula C16H12F3N3O4S and a molecular weight of 399.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide
PubChem CID139753884
Molecular FormulaC16H12F3N3O4S
Molecular Weight399.35 g/mol
Exact Mass399.05
IUPAC Name1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide
SMILESCOc1nc2ccccc2nc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O4S/c1-25-14-15(21-13-5-3-2-4-12(13)20-14)26-11-8-6-10(7-9-11)22-27(23,24)16(17,18)19/h2-9,22H,1H3
InChIKeyUTLYPYCCQLNGJL-UHFFFAOYSA-N
XLogP3.69
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methoxyphenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470962
N-[4-[2-hydroxy-3-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]propoxy]phenyl]methanesulfonamide
CID 15723674
2-Methyl-3-phenoxyquinoxaline
CID 12231785
2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline
CID 401463
2,3-Bis(2,4-difluorophenoxy)quinoxaline
CID 1040546
N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753817
[1,4]Benzodioxino[2,3-b]quinoxaline
CID 2748065
2-Phenoxy-3-(trifluoromethyl)quinoxaline
CID 1470958
2-(4-Fluorophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470959
2-(4-Nitrophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1487279
2,3-Bis(4-fluorophenoxy)quinoxaline
CID 16044276
2-(2,4-Difluorophenoxy)-3-methylquinoxaline
CID 39999933

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide (CID 139753884) is 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide is COc1nc2ccccc2nc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide?
The InChIKey is UTLYPYCCQLNGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4S/c1-25-14-15(21-13-5-3-2-4-12(13)20-14)26-11-8-6-10(7-9-11)22-27(23,24)16(17,18)19/h2-9,22H,1H3.
What are the key properties of 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide?
1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide has a molecular weight of 399.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide is sourced from PubChem (CID 139753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).