N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide

C23H16F5N3O2S — CID 141111546

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H16F5N3O2S/c1-14(18-9-8-16(24)13-19(18)25)31(17-5-2-4-15(12-17)23(26,27)28)34(32,33)21-7-3-6-20-22(21)30-11-10-29-20/h2-14H,1H3/t14-/m1/s1
InChIKeyJJOJIPVCJBXLLC-CQSZACIVSA-N
MW493.46 g/mol
LogP5.88
Rot. Bonds5

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide (PubChem CID 141111546) has the molecular formula C23H16F5N3O2S and a molecular weight of 493.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide
PubChem CID141111546
Molecular FormulaC23H16F5N3O2S
Molecular Weight493.46 g/mol
Exact Mass493.09
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H16F5N3O2S/c1-14(18-9-8-16(24)13-19(18)25)31(17-5-2-4-15(12-17)23(26,27)28)34(32,33)21-7-3-6-20-22(21)30-11-10-29-20/h2-14H,1H3/t14-/m1/s1
InChIKeyJJOJIPVCJBXLLC-CQSZACIVSA-N
XLogP5.88
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507
N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132666776
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211
6-[1-(2,4-difluorophenyl)-2-fluoroethyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
CID 67014327
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
methyl 2-(quinoxalin-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate
CID 67200346
4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11180556
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid
CID 141280162
2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoic acid
CID 50893228
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 9369456

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide (CID 141111546) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide is C[C@H](c1ccc(F)cc1F)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide?
The InChIKey is JJOJIPVCJBXLLC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H16F5N3O2S/c1-14(18-9-8-16(24)13-19(18)25)31(17-5-2-4-15(12-17)23(26,27)28)34(32,33)21-7-3-6-20-22(21)30-11-10-29-20/h2-14H,1H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide has a molecular weight of 493.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).