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

C23H22Cl2N2O3S — CID 126413823

IUPACN-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c1
InChIInChI=1S/C23H22Cl2N2O3S/c1-14-8-15(2)10-20(9-14)27-31(29,30)22-11-17(5-4-16(22)3)23(28)26-13-18-6-7-19(24)12-21(18)25/h4-12,27H,13H2,1-3H3,(H,26,28)
InChIKeyPJIHEJSKKYMYSA-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.65
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 126413823) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID126413823
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c1
InChIInChI=1S/C23H22Cl2N2O3S/c1-14-8-15(2)10-20(9-14)27-31(29,30)22-11-17(5-4-16(22)3)23(28)26-13-18-6-7-19(24)12-21(18)25/h4-12,27H,13H2,1-3H3,(H,26,28)
InChIKeyPJIHEJSKKYMYSA-UHFFFAOYSA-N
XLogP5.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.65
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
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
ethyl 3-chloro-4-[[3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 99949190
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 4617955
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 126413823) is N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is PJIHEJSKKYMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-14-8-15(2)10-20(9-14)27-31(29,30)22-11-17(5-4-16(22)3)23(28)26-13-18-6-7-19(24)12-21(18)25/h4-12,27H,13H2,1-3H3,(H,26,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 477.41 g/mol, XLogP of 5.65, 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-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 126413823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).