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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Related Compounds

3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
N-(4-(N-(3-((3,5-dimethoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-3-methoxy-4-methylbenzamide
CID 49867926
3,4,5-trimethoxy-N-quinolin-8-ylbenzamide
CID 849591
3,5-Dimethoxy-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078178
N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1191580
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3,4,5-trimethoxy-benzamide
CID 1452715
4-{[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]amino}-N-2-quinoxalinylbenzenesulfonamide
CID 1598211
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2331806
3,5-dimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 1220861
3,4,5-triethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 1222162
4-methoxy-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}benzamide
CID 2178925

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).