2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide

C20H15Cl3N2O3S — CID 46778231

IUPAC2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H15Cl3N2O3S/c1-12-2-6-15(7-3-12)29(27,28)25-14-5-8-17(21)16(10-14)20(26)24-13-4-9-18(22)19(23)11-13/h2-11,25H,1H3,(H,24,26)
InChIKeyJHDWWBVXOKPMTK-UHFFFAOYSA-N
MW469.78 g/mol
LogP6.01
Rot. Bonds5

About 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46778231) has the molecular formula C20H15Cl3N2O3S and a molecular weight of 469.78 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46778231
Molecular FormulaC20H15Cl3N2O3S
Molecular Weight469.78 g/mol
Exact Mass467.99
IUPAC Name2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H15Cl3N2O3S/c1-12-2-6-15(7-3-12)29(27,28)25-14-5-8-17(21)16(10-14)20(26)24-13-4-9-18(22)19(23)11-13/h2-11,25H,1H3,(H,24,26)
InChIKeyJHDWWBVXOKPMTK-UHFFFAOYSA-N
XLogP6.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.78
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 46778231) is 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is JHDWWBVXOKPMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O3S/c1-12-2-6-15(7-3-12)29(27,28)25-14-5-8-17(21)16(10-14)20(26)24-13-4-9-18(22)19(23)11-13/h2-11,25H,1H3,(H,24,26).
What are the key properties of 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 469.78 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46778231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).