N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C21H20N2O4S — CID 78783087

IUPACN-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(O)c3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-9-11-18(12-10-15)23(2)28(26,27)20-8-3-5-16(13-20)21(25)22-17-6-4-7-19(24)14-17/h3-14,24H,1-2H3,(H,22,25)
InChIKeyGYQJJDBMKYQUCN-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.78
Rot. Bonds5

About N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 78783087) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID78783087
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(O)c3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-9-11-18(12-10-15)23(2)28(26,27)20-8-3-5-16(13-20)21(25)22-17-6-4-7-19(24)14-17/h3-14,24H,1-2H3,(H,22,25)
InChIKeyGYQJJDBMKYQUCN-UHFFFAOYSA-N
XLogP3.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55611308
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(3-hydroxyphenyl)-3-[methyl(propyl)sulfamoyl]benzamide
CID 27241907
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 78783087) is N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(O)c3)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is GYQJJDBMKYQUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-9-11-18(12-10-15)23(2)28(26,27)20-8-3-5-16(13-20)21(25)22-17-6-4-7-19(24)14-17/h3-14,24H,1-2H3,(H,22,25).
What are the key properties of N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78783087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).