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

C21H16Cl4N2O3S — CID 126066964

IUPAC2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl4N2O3S/c22-15-7-9-17(10-8-15)31(29,30)27(12-14-3-1-4-16(23)11-14)13-20(28)26-19-6-2-5-18(24)21(19)25/h1-11H,12-13H2,(H,26,28)
InChIKeyUSDJBHWGWONEAI-UHFFFAOYSA-N
MW518.25 g/mol
LogP6.13
Rot. Bonds7

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

2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 126066964) has the molecular formula C21H16Cl4N2O3S and a molecular weight of 518.25 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID126066964
Molecular FormulaC21H16Cl4N2O3S
Molecular Weight518.25 g/mol
Exact Mass515.96
IUPAC Name2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl4N2O3S/c22-15-7-9-17(10-8-15)31(29,30)27(12-14-3-1-4-16(23)11-14)13-20(28)26-19-6-2-5-18(24)21(19)25/h1-11H,12-13H2,(H,26,28)
InChIKeyUSDJBHWGWONEAI-UHFFFAOYSA-N
XLogP6.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 4609360
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23824740
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992
N-(5-chloro-2-methylphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069224
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetamide
CID 126062385
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 94847357
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126096666
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793593
ethyl 2-[4-[[2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100793628
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide (CID 126066964) is 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide is O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is USDJBHWGWONEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl4N2O3S/c22-15-7-9-17(10-8-15)31(29,30)27(12-14-3-1-4-16(23)11-14)13-20(28)26-19-6-2-5-18(24)21(19)25/h1-11H,12-13H2,(H,26,28).
What are the key properties of 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide?
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 518.25 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 126066964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).