2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

C18H20Cl2N2O3S — CID 19257662

IUPAC2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)c(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-10(2)22-26(24,25)17-8-13(14(19)9-15(17)20)18(23)21-16-6-5-11(3)7-12(16)4/h5-10,22H,1-4H3,(H,21,23)
InChIKeyIGLSSPQFXKCGGQ-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.55
Rot. Bonds5

About 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 19257662) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID19257662
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)c(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-10(2)22-26(24,25)17-8-13(14(19)9-15(17)20)18(23)21-16-6-5-11(3)7-12(16)4/h5-10,22H,1-4H3,(H,21,23)
InChIKeyIGLSSPQFXKCGGQ-UHFFFAOYSA-N
XLogP4.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
CID 78782572
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (CID 19257662) is 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)c(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is IGLSSPQFXKCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-10(2)22-26(24,25)17-8-13(14(19)9-15(17)20)18(23)21-16-6-5-11(3)7-12(16)4/h5-10,22H,1-4H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 415.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 19257662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).