N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C21H20N2O4S — CID 9299545

IUPACN-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)22-18-7-5-6-16(14-18)15-24/h2-14,24H,15H2,1H3,(H,22,25)
InChIKeyGORXMCMXOKFCMK-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.26
Rot. Bonds6

About N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 9299545) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID9299545
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-23(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)22-18-7-5-6-16(14-18)15-24/h2-14,24H,15H2,1H3,(H,22,25)
InChIKeyGORXMCMXOKFCMK-UHFFFAOYSA-N
XLogP3.26
TPSA86.71 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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
CID 1320507
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
3-[[4-[methyl-(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 992228
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 9299545) is N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GORXMCMXOKFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-23(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)22-18-7-5-6-16(14-18)15-24/h2-14,24H,15H2,1H3,(H,22,25).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9299545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).