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

C27H28N4O6S — CID 1222162

IUPAC3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C27H28N4O6S/c1-4-35-23-15-18(16-24(36-5-2)26(23)37-6-3)27(32)29-19-11-13-20(14-12-19)38(33,34)31-25-17-28-21-9-7-8-10-22(21)30-25/h7-17H,4-6H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyYQMGQWQZWWICRD-UHFFFAOYSA-N
MW536.61 g/mol
LogP4.88
Rot. Bonds11

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

3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1222162) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1222162
Molecular FormulaC27H28N4O6S
Molecular Weight536.61 g/mol
Exact Mass536.17
IUPAC Name3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C27H28N4O6S/c1-4-35-23-15-18(16-24(36-5-2)26(23)37-6-3)27(32)29-19-11-13-20(14-12-19)38(33,34)31-25-17-28-21-9-7-8-10-22(21)30-25/h7-17H,4-6H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyYQMGQWQZWWICRD-UHFFFAOYSA-N
XLogP4.88
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 1222162) is 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is YQMGQWQZWWICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c1-4-35-23-15-18(16-24(36-5-2)26(23)37-6-3)27(32)29-19-11-13-20(14-12-19)38(33,34)31-25-17-28-21-9-7-8-10-22(21)30-25/h7-17H,4-6H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 536.61 g/mol, XLogP of 4.88, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1222162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).