4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

C21H20N2O4S — CID 26538003

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-6-5-7-17(14-15)22-21(24)16-10-12-18(13-11-16)28(25,26)23-19-8-3-4-9-20(19)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyIZYDGAWGAMMGGV-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.06
Rot. Bonds6

About 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (PubChem CID 26538003) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
PubChem CID26538003
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-6-5-7-17(14-15)22-21(24)16-10-12-18(13-11-16)28(25,26)23-19-8-3-4-9-20(19)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyIZYDGAWGAMMGGV-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (CID 26538003) is 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The InChIKey is IZYDGAWGAMMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-6-5-7-17(14-15)22-21(24)16-10-12-18(13-11-16)28(25,26)23-19-8-3-4-9-20(19)27-2/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 26538003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).