N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

C15H9ClF3N3O3S — CID 139753817

IUPACN-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc3ccccc3nc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O3S/c16-13-14(21-12-4-2-1-3-11(12)20-13)25-10-7-5-9(6-8-10)22-26(23,24)15(17,18)19/h1-8,22H
InChIKeyOYPYRTTUBSBNEK-UHFFFAOYSA-N
MW403.77 g/mol
LogP4.34
Rot. Bonds4

About N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139753817) has the molecular formula C15H9ClF3N3O3S and a molecular weight of 403.77 g/mol. Its IUPAC name is N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139753817
Molecular FormulaC15H9ClF3N3O3S
Molecular Weight403.77 g/mol
Exact Mass403.00
IUPAC NameN-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc3ccccc3nc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9ClF3N3O3S/c16-13-14(21-12-4-2-1-3-11(12)20-13)25-10-7-5-9(6-8-10)22-26(23,24)15(17,18)19/h1-8,22H
InChIKeyOYPYRTTUBSBNEK-UHFFFAOYSA-N
XLogP4.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470962
2-Chloro-3-(2-phenoxyethoxy)quinoxaline
CID 22036340
2-(2-Chloro-4-fluorophenoxy)-3-methylquinoxaline
CID 45872555
N-[4-(3-chloro-5,6-diphenylpyrazin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753854
1,1,1-trifluoro-N-[4-(3-methoxyquinoxalin-2-yl)oxyphenyl]methanesulfonamide
CID 139753884
2-Chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline
CID 169250407
2-Chloro-3-phenoxyquinoxaline
CID 12678053
2-Phenoxy-3-(trifluoromethyl)quinoxaline
CID 1470958
2-(4-Fluorophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470959
2-(3-Chlorophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470969
2-(4-Chlorophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1487277
2-(4-Nitrophenoxy)-3-(trifluoromethyl)quinoxaline
CID 1487279

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (CID 139753817) is N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc(Oc2nc3ccccc3nc2Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OYPYRTTUBSBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O3S/c16-13-14(21-12-4-2-1-3-11(12)20-13)25-10-7-5-9(6-8-10)22-26(23,24)15(17,18)19/h1-8,22H.
What are the key properties of N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 403.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroquinoxalin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139753817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).