N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide

C22H21ClN2O4S — CID 2561325

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-13-19(20(29-3)14-18(15)23)24-22(26)17-11-7-8-12-21(17)30(27,28)25(2)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,26)
InChIKeyJAPXPIRXZQPLNZ-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.73
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2561325) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2561325
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-13-19(20(29-3)14-18(15)23)24-22(26)17-11-7-8-12-21(17)30(27,28)25(2)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,26)
InChIKeyJAPXPIRXZQPLNZ-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
CID 90477654
CID 90477654
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide (CID 2561325) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JAPXPIRXZQPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-13-19(20(29-3)14-18(15)23)24-22(26)17-11-7-8-12-21(17)30(27,28)25(2)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2561325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).