2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

C21H18Cl2N2O3S — CID 1312870

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-29(27,28)25(16-11-12-18(22)19(23)13-16)14-21(26)24-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyOEAXFVBLJWOIDF-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.07
Rot. Bonds6

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 1312870) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
PubChem CID1312870
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-29(27,28)25(16-11-12-18(22)19(23)13-16)14-21(26)24-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26)
InChIKeyOEAXFVBLJWOIDF-UHFFFAOYSA-N
XLogP5.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126138647
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 17201030
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2-phenylphenyl)acetamide
CID 126134173
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (CID 1312870) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is OEAXFVBLJWOIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-29(27,28)25(16-11-12-18(22)19(23)13-16)14-21(26)24-20-10-6-5-9-17(20)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 5.07, 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-phenylphenyl)acetamide is sourced from PubChem (CID 1312870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).