N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C22H19Cl3N2O4S — CID 3891915

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H19Cl3N2O4S/c1-14-3-7-17(8-4-14)32(29,30)27(20-11-15(23)5-9-18(20)24)13-22(28)26-16-6-10-21(31-2)19(25)12-16/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyLCAVFDREYKIBJF-UHFFFAOYSA-N
MW513.83 g/mol
LogP5.80
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 3891915) has the molecular formula C22H19Cl3N2O4S and a molecular weight of 513.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID3891915
Molecular FormulaC22H19Cl3N2O4S
Molecular Weight513.83 g/mol
Exact Mass512.01
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H19Cl3N2O4S/c1-14-3-7-17(8-4-14)32(29,30)27(20-11-15(23)5-9-18(20)24)13-22(28)26-16-6-10-21(31-2)19(25)12-16/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyLCAVFDREYKIBJF-UHFFFAOYSA-N
XLogP5.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.83
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280526
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126034594
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3876955
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 3891915) is N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is LCAVFDREYKIBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O4S/c1-14-3-7-17(8-4-14)32(29,30)27(20-11-15(23)5-9-18(20)24)13-22(28)26-16-6-10-21(31-2)19(25)12-16/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 513.83 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 3891915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).