2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide

C17H19ClN2O4S — CID 9184405

IUPAC2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)25(22,23)20(2)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWGMFGKDAKMZKQR-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.76
Rot. Bonds6

About 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide

2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 9184405) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
PubChem CID9184405
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)25(22,23)20(2)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWGMFGKDAKMZKQR-UHFFFAOYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
2-chloro-5-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 106501455
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604
methyl 5-[[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612422
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide (CID 9184405) is 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide is CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is WGMFGKDAKMZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)25(22,23)20(2)24-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 9184405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).