4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide

C26H25F2N5O6S — CID 56966046

IUPAC4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1cc(OC(F)F)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1OC
InChIInChI=1S/C26H25F2N5O6S/c1-33(2)25(34)15-9-11-17(12-10-15)40(35,36)32-24-23(29-18-7-5-6-8-19(18)30-24)31-20-13-16(39-26(27)28)14-21(37-3)22(20)38-4/h5-14,26H,1-4H3,(H,29,31)(H,30,32)
InChIKeyRMHPHJABPXRLFV-UHFFFAOYSA-N
MW573.58 g/mol
LogP4.49
Rot. Bonds10

About 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide

4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 56966046) has the molecular formula C26H25F2N5O6S and a molecular weight of 573.58 g/mol. Its IUPAC name is 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID56966046
Molecular FormulaC26H25F2N5O6S
Molecular Weight573.58 g/mol
Exact Mass573.15
IUPAC Name4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1cc(OC(F)F)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1OC
InChIInChI=1S/C26H25F2N5O6S/c1-33(2)25(34)15-9-11-17(12-10-15)40(35,36)32-24-23(29-18-7-5-6-8-19(18)30-24)31-20-13-16(39-26(27)28)14-21(37-3)22(20)38-4/h5-14,26H,1-4H3,(H,29,31)(H,30,32)
InChIKeyRMHPHJABPXRLFV-UHFFFAOYSA-N
XLogP4.49
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.58
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide (CID 56966046) is 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide is COc1cc(OC(F)F)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1OC.
What is the InChIKey of 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is RMHPHJABPXRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O6S/c1-33(2)25(34)15-9-11-17(12-10-15)40(35,36)32-24-23(29-18-7-5-6-8-19(18)30-24)31-20-13-16(39-26(27)28)14-21(37-3)22(20)38-4/h5-14,26H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 573.58 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(difluoromethoxy)-2,3-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56966046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).