N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C21H18Cl2N2O3S — CID 2333532

IUPACN-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-7-8-14(2)20(9-13)29(27,28)25-19-6-4-3-5-18(19)21(26)24-17-11-15(22)10-16(23)12-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeySMZREUJKQIUVKG-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.66
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 2333532) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID2333532
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC NameN-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-7-8-14(2)20(9-13)29(27,28)25-19-6-4-3-5-18(19)21(26)24-17-11-15(22)10-16(23)12-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeySMZREUJKQIUVKG-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

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 55955299
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55629211
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 35933008
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38890994

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 2333532) is N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is SMZREUJKQIUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-13-7-8-14(2)20(9-13)29(27,28)25-19-6-4-3-5-18(19)21(26)24-17-11-15(22)10-16(23)12-17/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)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-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2333532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).