N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide

C23H19F3N4O4S — CID 151992282

IUPACN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2N(C(F)(F)F)S(=O)(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C23H19F3N4O4S/c1-33-16-12-15(13-17(14-16)34-2)27-21-22(29-20-11-7-6-10-19(20)28-21)30(23(24,25)26)35(31,32)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,27,28)
InChIKeyUEXWOFSAHUBEES-UHFFFAOYSA-N
MW504.49 g/mol
LogP5.11
Rot. Bonds7

About N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide

N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide (PubChem CID 151992282) has the molecular formula C23H19F3N4O4S and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
PubChem CID151992282
Molecular FormulaC23H19F3N4O4S
Molecular Weight504.49 g/mol
Exact Mass504.11
IUPAC NameN-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2N(C(F)(F)F)S(=O)(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C23H19F3N4O4S/c1-33-16-12-15(13-17(14-16)34-2)27-21-22(29-20-11-7-6-10-19(20)28-21)30(23(24,25)26)35(31,32)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,27,28)
InChIKeyUEXWOFSAHUBEES-UHFFFAOYSA-N
XLogP5.11
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
CID 140566854
N-(3-chloroquinoxalin-2-yl)-N-(trifluoromethyl)benzenesulfonamide
CID 142779363
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 90796373
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(trifluoromethyl)phenyl]sulfanylquinoxaline-2,3-diamine
CID 143628600
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-(propan-2-ylamino)benzenesulfonamide
CID 174548611

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide (CID 151992282) is N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide is COc1cc(Nc2nc3ccccc3nc2N(C(F)(F)F)S(=O)(=O)c2ccccc2)cc(OC)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UEXWOFSAHUBEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4S/c1-33-16-12-15(13-17(14-16)34-2)27-21-22(29-20-11-7-6-10-19(20)28-21)30(23(24,25)26)35(31,32)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,27,28).
What are the key properties of N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide?
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide has a molecular weight of 504.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 151992282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).