3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

C24H22N4O6S — CID 1359070

IUPAC3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H22N4O6S/c1-32-20-12-15(13-21(33-2)23(20)34-3)24(29)26-16-8-10-17(11-9-16)35(30,31)28-22-14-25-18-6-4-5-7-19(18)27-22/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyRSQFXSYQTSPIET-UHFFFAOYSA-N
MW494.53 g/mol
LogP3.71
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1359070) has the molecular formula C24H22N4O6S and a molecular weight of 494.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1359070
Molecular FormulaC24H22N4O6S
Molecular Weight494.53 g/mol
Exact Mass494.13
IUPAC Name3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H22N4O6S/c1-32-20-12-15(13-21(33-2)23(20)34-3)24(29)26-16-8-10-17(11-9-16)35(30,31)28-22-14-25-18-6-4-5-7-19(18)27-22/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyRSQFXSYQTSPIET-UHFFFAOYSA-N
XLogP3.71
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 1359070) is 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is RSQFXSYQTSPIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S/c1-32-20-12-15(13-21(33-2)23(20)34-3)24(29)26-16-8-10-17(11-9-16)35(30,31)28-22-14-25-18-6-4-5-7-19(18)27-22/h4-14H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 494.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1359070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).