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

C22H20Cl2N2O3S — CID 19062771

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2C)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-14-3-8-19(9-4-14)30(28,29)26-21-10-6-16(11-15(21)2)22(27)25-13-17-5-7-18(23)12-20(17)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyOFHBVZJCRTYQEC-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.34
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062771) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062771
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2C)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-14-3-8-19(9-4-14)30(28,29)26-21-10-6-16(11-15(21)2)22(27)25-13-17-5-7-18(23)12-20(17)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyOFHBVZJCRTYQEC-UHFFFAOYSA-N
XLogP5.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413823
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 4617955
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062771) is N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2C)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is OFHBVZJCRTYQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-14-3-8-19(9-4-14)30(28,29)26-21-10-6-16(11-15(21)2)22(27)25-13-17-5-7-18(23)12-20(17)24/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 463.39 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).