N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

C23H15F5N4O3S — CID 67013095

IUPACN-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESO=C(NC(c1ccc(F)cc1F)C(F)(F)F)c1ccccc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H15F5N4O3S/c24-13-8-9-14(16(25)12-13)21(23(26,27)28)31-22(33)15-4-1-2-5-17(15)32-36(34,35)19-7-3-6-18-20(19)30-11-10-29-18/h1-12,21,32H,(H,31,33)
InChIKeyFOQOSTXCTOYYBD-UHFFFAOYSA-N
MW522.46 g/mol
LogP4.74
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 67013095) has the molecular formula C23H15F5N4O3S and a molecular weight of 522.46 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
PubChem CID67013095
Molecular FormulaC23H15F5N4O3S
Molecular Weight522.46 g/mol
Exact Mass522.08
IUPAC NameN-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
SMILESO=C(NC(c1ccc(F)cc1F)C(F)(F)F)c1ccccc1NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C23H15F5N4O3S/c24-13-8-9-14(16(25)12-13)21(23(26,27)28)31-22(33)15-4-1-2-5-17(15)32-36(34,35)19-7-3-6-18-20(19)30-11-10-29-18/h1-12,21,32H,(H,31,33)
InChIKeyFOQOSTXCTOYYBD-UHFFFAOYSA-N
XLogP4.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11180556
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-fluoro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11318350
N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013162
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
N-[1-(2,4-dichlorophenyl)ethyl]-4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67199570
4-bromo-N-[1-(4-chlorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11192016
methyl 2-(quinoxalin-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate
CID 67200346
4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 141141160
3-(4-chlorophenyl)-2-[[4-iodo-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 58999898
6-[1-(2,4-difluorophenyl)-2-fluoroethyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
CID 67014327
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 67013095) is N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is O=C(NC(c1ccc(F)cc1F)C(F)(F)F)c1ccccc1NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
The InChIKey is FOQOSTXCTOYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N4O3S/c24-13-8-9-14(16(25)12-13)21(23(26,27)28)31-22(33)15-4-1-2-5-17(15)32-36(34,35)19-7-3-6-18-20(19)30-11-10-29-18/h1-12,21,32H,(H,31,33).
What are the key properties of N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?
N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 522.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 67013095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).