N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide

C16H16Cl2N2O3S — CID 3465681

IUPACN-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-8-7-13(17)9-14(15)18)11-16(21)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyBEQXJJIYUUJEOM-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.08
Rot. Bonds6

About N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide

N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 3465681) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID3465681
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-8-7-13(17)9-14(15)18)11-16(21)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyBEQXJJIYUUJEOM-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide (CID 3465681) is N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is BEQXJJIYUUJEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-8-7-13(17)9-14(15)18)11-16(21)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 387.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).