2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

C16H14Cl4N2O3S — CID 22193681

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl4N2O3S/c1-26(24,25)22(12-4-5-13(18)15(20)7-12)9-16(23)21-8-10-2-3-11(17)6-14(10)19/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyXTQZYWILFDJECX-UHFFFAOYSA-N
MW456.18 g/mol
LogP4.38
Rot. Bonds6

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 22193681) has the molecular formula C16H14Cl4N2O3S and a molecular weight of 456.18 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID22193681
Molecular FormulaC16H14Cl4N2O3S
Molecular Weight456.18 g/mol
Exact Mass453.95
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl4N2O3S/c1-26(24,25)22(12-4-5-13(18)15(20)7-12)9-16(23)21-8-10-2-3-11(17)6-14(10)19/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyXTQZYWILFDJECX-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342604
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30226235
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126121425
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
2-[[2-(3,4-dichloro-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132688683

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 22193681) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is XTQZYWILFDJECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4N2O3S/c1-26(24,25)22(12-4-5-13(18)15(20)7-12)9-16(23)21-8-10-2-3-11(17)6-14(10)19/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 456.18 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 22193681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).