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

C15H13Cl2FN2O3S — CID 2290634

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(10-6-7-11(16)12(17)8-10)9-15(21)19-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyIARZRLAWUCTBGV-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.54
Rot. Bonds5

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

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (PubChem CID 2290634) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
PubChem CID2290634
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(10-6-7-11(16)12(17)8-10)9-15(21)19-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyIARZRLAWUCTBGV-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126138647
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312870
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
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (CID 2290634) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The InChIKey is IARZRLAWUCTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(10-6-7-11(16)12(17)8-10)9-15(21)19-14-5-3-2-4-13(14)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide has a molecular weight of 391.25 g/mol, XLogP of 3.54, 5 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-fluorophenyl)acetamide is sourced from PubChem (CID 2290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).