N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C22H22N2O4S — CID 26593901

IUPACN-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-4-7-19(14-16(15)2)23-22(25)17-5-12-21(13-6-17)29(26,27)24-18-8-10-20(28-3)11-9-18/h4-14,24H,1-3H3,(H,23,25)
InChIKeyDPGBYBVMDJVGPE-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.37
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 26593901) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID26593901
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-4-7-19(14-16(15)2)23-22(25)17-5-12-21(13-6-17)29(26,27)24-18-8-10-20(28-3)11-9-18/h4-14,24H,1-3H3,(H,23,25)
InChIKeyDPGBYBVMDJVGPE-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(3-acetamido-4-methoxyphenyl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 24666750
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17141183

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 26593901) is N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is DPGBYBVMDJVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-4-7-19(14-16(15)2)23-22(25)17-5-12-21(13-6-17)29(26,27)24-18-8-10-20(28-3)11-9-18/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).