2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

C22H19Cl3N2O3S — CID 4584427

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c1-15-4-2-3-5-21(15)27(31(29,30)19-10-8-17(23)9-11-19)14-22(28)26-13-16-6-7-18(24)12-20(16)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyPKTXZSPVIRARBA-UHFFFAOYSA-N
MW497.83 g/mol
LogP5.47
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 4584427) has the molecular formula C22H19Cl3N2O3S and a molecular weight of 497.83 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID4584427
Molecular FormulaC22H19Cl3N2O3S
Molecular Weight497.83 g/mol
Exact Mass496.02
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O3S/c1-15-4-2-3-5-21(15)27(31(29,30)19-10-8-17(23)9-11-19)14-22(28)26-13-16-6-7-18(24)12-20(16)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyPKTXZSPVIRARBA-UHFFFAOYSA-N
XLogP5.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30250778
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51345505
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 4584427) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is Cc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is PKTXZSPVIRARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3S/c1-15-4-2-3-5-21(15)27(31(29,30)19-10-8-17(23)9-11-19)14-22(28)26-13-16-6-7-18(24)12-20(16)25/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 497.83 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 4584427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).