N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C22H20Cl2N2O3S — CID 126412486

IUPACN-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1
InChIInChI=1S/C22H20Cl2N2O3S/c1-13-7-8-14(2)19(11-13)26-30(28,29)20-12-16(10-9-15(20)3)22(27)25-18-6-4-5-17(23)21(18)24/h4-12,26H,1-3H3,(H,25,27)
InChIKeyIPRYFAQSAFHJHG-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.97
Rot. Bonds5

About N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 126412486) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID126412486
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1
InChIInChI=1S/C22H20Cl2N2O3S/c1-13-7-8-14(2)19(11-13)26-30(28,29)20-12-16(10-9-15(20)3)22(27)25-18-6-4-5-17(23)21(18)24/h4-12,26H,1-3H3,(H,25,27)
InChIKeyIPRYFAQSAFHJHG-UHFFFAOYSA-N
XLogP5.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 2237130
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 2232377

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 126412486) is N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is IPRYFAQSAFHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-13-7-8-14(2)19(11-13)26-30(28,29)20-12-16(10-9-15(20)3)22(27)25-18-6-4-5-17(23)21(18)24/h4-12,26H,1-3H3,(H,25,27).
What are the key properties of N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 463.39 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 126412486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).