4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C22H21ClN2O5S — CID 24536359

IUPAC4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3OC)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-13-15(7-12-19(21)23)22(26)24-14-16-5-3-4-6-20(16)30-2/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyVNZUEXTVSZNSKE-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.09
Rot. Bonds8

About 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24536359) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24536359
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3OC)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-13-15(7-12-19(21)23)22(26)24-14-16-5-3-4-6-20(16)30-2/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyVNZUEXTVSZNSKE-UHFFFAOYSA-N
XLogP4.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24536359) is 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3OC)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is VNZUEXTVSZNSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-29-18-10-8-17(9-11-18)25-31(27,28)21-13-15(7-12-19(21)23)22(26)24-14-16-5-3-4-6-20(16)30-2/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 460.94 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24536359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).