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

C23H22ClN3O5S — CID 30858884

IUPAC4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1
InChIInChI=1S/C23H22ClN3O5S/c1-25-22(28)16-5-3-4-15(12-16)14-26-23(29)17-6-11-20(24)21(13-17)33(30,31)27-18-7-9-19(32-2)10-8-18/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYBRDYFHTOWWXGS-UHFFFAOYSA-N
MW487.97 g/mol
LogP3.44
Rot. Bonds8

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

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 30858884) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID30858884
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1
InChIInChI=1S/C23H22ClN3O5S/c1-25-22(28)16-5-3-4-15(12-16)14-26-23(29)17-6-11-20(24)21(13-17)33(30,31)27-18-7-9-19(32-2)10-8-18/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYBRDYFHTOWWXGS-UHFFFAOYSA-N
XLogP3.44
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
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-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide (CID 30858884) is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is YBRDYFHTOWWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-25-22(28)16-5-3-4-15(12-16)14-26-23(29)17-6-11-20(24)21(13-17)33(30,31)27-18-7-9-19(32-2)10-8-18/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide?
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 487.97 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30858884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).