4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

C23H23ClN2O5S — CID 92671439

IUPAC4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-15-5-4-6-18(11-15)26-32(28,29)22-13-17(8-9-19(22)24)23(27)25-14-16-7-10-20(30-2)21(12-16)31-3/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeySGXJENZFYGHEBM-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.40
Rot. Bonds8

About 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 92671439) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID92671439
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-15-5-4-6-18(11-15)26-32(28,29)22-13-17(8-9-19(22)24)23(27)25-14-16-7-10-20(30-2)21(12-16)31-3/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeySGXJENZFYGHEBM-UHFFFAOYSA-N
XLogP4.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013133
4-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013134
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 92671439) is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is SGXJENZFYGHEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-15-5-4-6-18(11-15)26-32(28,29)22-13-17(8-9-19(22)24)23(27)25-14-16-7-10-20(30-2)21(12-16)31-3/h4-13,26H,14H2,1-3H3,(H,25,27).
What are the key properties of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 92671439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).