N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C21H18Cl2N2O3S — CID 19062806

IUPACN-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2C)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-6-9-16(10-7-13)29(27,28)25-19-11-8-15(12-14(19)2)21(26)24-20-17(22)4-3-5-18(20)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyLWJQAQMQDGCRRX-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.66
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062806) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062806
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC NameN-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2C)cc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-6-9-16(10-7-13)29(27,28)25-19-11-8-15(12-14(19)2)21(26)24-20-17(22)4-3-5-18(20)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyLWJQAQMQDGCRRX-UHFFFAOYSA-N
XLogP5.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46762958
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
N-(2-chloro-5-nitrophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062807
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062806) is N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2C)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LWJQAQMQDGCRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-13-6-9-16(10-7-13)29(27,28)25-19-11-8-15(12-14(19)2)21(26)24-20-17(22)4-3-5-18(20)23/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 449.36 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).