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

C22H20Cl2N2O3S — CID 28568554

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-5-3-4-6-20(15)25-30(28,29)21-13-17(9-12-19(21)24)22(27)26(2)14-16-7-10-18(23)11-8-16/h3-13,25H,14H2,1-2H3
InChIKeyWVKGADVFWXUTIE-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.37
Rot. Bonds6

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

4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 28568554) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID28568554
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-5-3-4-6-20(15)25-30(28,29)21-13-17(9-12-19(21)24)22(27)26(2)14-16-7-10-18(23)11-8-16/h3-13,25H,14H2,1-2H3
InChIKeyWVKGADVFWXUTIE-UHFFFAOYSA-N
XLogP5.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 5126188
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 3608681
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 24542588
4-(benzenesulfonamido)-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 92671538
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 63213909
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 28568554) is 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is WVKGADVFWXUTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-15-5-3-4-6-20(15)25-30(28,29)21-13-17(9-12-19(21)24)22(27)26(2)14-16-7-10-18(23)11-8-16/h3-13,25H,14H2,1-2H3.
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 463.39 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 28568554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).