3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide

C21H20N2O4S — CID 9164278

IUPAC3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-20-13-6-5-8-17(20)15-22-21(24)16-9-7-10-18(14-16)23-28(25,26)19-11-3-2-4-12-19/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyQHDYMUAROZMFQN-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.43
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide

3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 9164278) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID9164278
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-20-13-6-5-8-17(20)15-22-21(24)16-9-7-10-18(14-16)23-28(25,26)19-11-3-2-4-12-19/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyQHDYMUAROZMFQN-UHFFFAOYSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
CID 18928962

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide (CID 9164278) is 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is QHDYMUAROZMFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-20-13-6-5-8-17(20)15-22-21(24)16-9-7-10-18(14-16)23-28(25,26)19-11-3-2-4-12-19/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide?
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 9164278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).