N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C22H19Cl3N2O3S — CID 126012010

IUPACN-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c1-15-8-10-18(11-9-15)31(29,30)27(13-19-20(24)6-3-7-21(19)25)14-22(28)26-17-5-2-4-16(23)12-17/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyIJLHZJQQVWTGRN-UHFFFAOYSA-N
MW497.83 g/mol
LogP5.78
Rot. Bonds7

About N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126012010) has the molecular formula C22H19Cl3N2O3S and a molecular weight of 497.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126012010
Molecular FormulaC22H19Cl3N2O3S
Molecular Weight497.83 g/mol
Exact Mass496.02
IUPAC NameN-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c1-15-8-10-18(11-9-15)31(29,30)27(13-19-20(24)6-3-7-21(19)25)14-22(28)26-17-5-2-4-16(23)12-17/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyIJLHZJQQVWTGRN-UHFFFAOYSA-N
XLogP5.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.83
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 126061916
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-methylphenyl)acetamide
CID 126059067
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43872007
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126064839
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 43871984

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126012010) is N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is IJLHZJQQVWTGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3S/c1-15-8-10-18(11-9-15)31(29,30)27(13-19-20(24)6-3-7-21(19)25)14-22(28)26-17-5-2-4-16(23)12-17/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 497.83 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126012010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).