2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide

C21H15Cl5N2O3S — CID 126068186

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H15Cl5N2O3S/c22-14-3-5-19(6-4-14)32(30,31)28(11-13-1-2-15(23)10-20(13)26)12-21(29)27-18-8-16(24)7-17(25)9-18/h1-10H,11-12H2,(H,27,29)
InChIKeyIIYBRXVAGVTHDR-UHFFFAOYSA-N
MW552.69 g/mol
LogP6.78
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 126068186) has the molecular formula C21H15Cl5N2O3S and a molecular weight of 552.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID126068186
Molecular FormulaC21H15Cl5N2O3S
Molecular Weight552.69 g/mol
Exact Mass549.92
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H15Cl5N2O3S/c22-14-3-5-19(6-4-14)32(30,31)28(11-13-1-2-15(23)10-20(13)26)12-21(29)27-18-8-16(24)7-17(25)9-18/h1-10H,11-12H2,(H,27,29)
InChIKeyIIYBRXVAGVTHDR-UHFFFAOYSA-N
XLogP6.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 126074495
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126079248
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-methylphenyl)acetamide
CID 126059067
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100798057
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126063511
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 21372976
N-(3,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126064523
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 126371825
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 100798052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide (CID 126068186) is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is IIYBRXVAGVTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl5N2O3S/c22-14-3-5-19(6-4-14)32(30,31)28(11-13-1-2-15(23)10-20(13)26)12-21(29)27-18-8-16(24)7-17(25)9-18/h1-10H,11-12H2,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 552.69 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 126068186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).