2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

C28H24Cl2N2O4S — CID 126322737

IUPAC2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C28H24Cl2N2O4S/c1-19-11-14-23(15-12-19)37(34,35)32(26-10-6-9-24(30)20(26)2)18-28(33)31-25-17-21(29)13-16-27(25)36-22-7-4-3-5-8-22/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyZPOOGALLCAZAFI-UHFFFAOYSA-N
MW555.48 g/mol
LogP7.24
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126322737) has the molecular formula C28H24Cl2N2O4S and a molecular weight of 555.48 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126322737
Molecular FormulaC28H24Cl2N2O4S
Molecular Weight555.48 g/mol
Exact Mass554.08
IUPAC Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C28H24Cl2N2O4S/c1-19-11-14-23(15-12-19)37(34,35)32(26-10-6-9-24(30)20(26)2)18-28(33)31-25-17-21(29)13-16-27(25)36-22-7-4-3-5-8-22/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyZPOOGALLCAZAFI-UHFFFAOYSA-N
XLogP7.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.48
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 17313048
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 126316891
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 30172751
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893894
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894877
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126322737) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is ZPOOGALLCAZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4S/c1-19-11-14-23(15-12-19)37(34,35)32(26-10-6-9-24(30)20(26)2)18-28(33)31-25-17-21(29)13-16-27(25)36-22-7-4-3-5-8-22/h3-17H,18H2,1-2H3,(H,31,33).
What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 555.48 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126322737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).