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

C22H18Cl4N2O3S — CID 126062385

IUPACN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl4N2O3S/c1-14-18(24)4-3-7-21(14)27-22(29)13-28(12-17-19(25)5-2-6-20(17)26)32(30,31)16-10-8-15(23)9-11-16/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyDONNLDCEPIEVCR-UHFFFAOYSA-N
MW532.28 g/mol
LogP6.44
Rot. Bonds7

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

N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide (PubChem CID 126062385) has the molecular formula C22H18Cl4N2O3S and a molecular weight of 532.28 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
PubChem CID126062385
Molecular FormulaC22H18Cl4N2O3S
Molecular Weight532.28 g/mol
Exact Mass529.98
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl4N2O3S/c1-14-18(24)4-3-7-21(14)27-22(29)13-28(12-17-19(25)5-2-6-20(17)26)32(30,31)16-10-8-15(23)9-11-16/h2-11H,12-13H2,1H3,(H,27,29)
InChIKeyDONNLDCEPIEVCR-UHFFFAOYSA-N
XLogP6.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide with MolForge

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 126061698
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126064839
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 4609360
N-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012010
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 3988953
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 126061916
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126013510
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide (CID 126062385) is N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide is Cc1c(Cl)cccc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
The InChIKey is DONNLDCEPIEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4N2O3S/c1-14-18(24)4-3-7-21(14)27-22(29)13-28(12-17-19(25)5-2-6-20(17)26)32(30,31)16-10-8-15(23)9-11-16/h2-11H,12-13H2,1H3,(H,27,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 532.28 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 126062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).