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

C23H22Cl2N2O3S — CID 2290702

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C23H22Cl2N2O3S/c1-16-7-6-10-21(17(16)2)26-23(28)15-27(14-18-8-4-3-5-9-18)31(29,30)22-13-19(24)11-12-20(22)25/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyRCHIOWFMDKUUIK-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.44
Rot. Bonds7

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

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 2290702) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID2290702
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C23H22Cl2N2O3S/c1-16-7-6-10-21(17(16)2)26-23(28)15-27(14-18-8-4-3-5-9-18)31(29,30)22-13-19(24)11-12-20(22)25/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyRCHIOWFMDKUUIK-UHFFFAOYSA-N
XLogP5.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544429
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide (CID 2290702) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is RCHIOWFMDKUUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16-7-6-10-21(17(16)2)26-23(28)15-27(14-18-8-4-3-5-9-18)31(29,30)22-13-19(24)11-12-20(22)25/h3-13H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 477.41 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 2290702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).