2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide

C15H13F3N2O3S — CID 113157644

IUPAC2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F3N2O3S/c1-24(22,23)20(15-11(17)6-4-7-12(15)18)9-14(21)19-13-8-3-2-5-10(13)16/h2-8H,9H2,1H3,(H,19,21)
InChIKeySMRRTJUYIAJOLA-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.51
Rot. Bonds5

About 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide

2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (PubChem CID 113157644) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
PubChem CID113157644
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H13F3N2O3S/c1-24(22,23)20(15-11(17)6-4-7-12(15)18)9-14(21)19-13-8-3-2-5-10(13)16/h2-8H,9H2,1H3,(H,19,21)
InChIKeySMRRTJUYIAJOLA-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,6-difluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113157666
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30264709
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113157658
N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157561
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (CID 113157644) is 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The InChIKey is SMRRTJUYIAJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-24(22,23)20(15-11(17)6-4-7-12(15)18)9-14(21)19-13-8-3-2-5-10(13)16/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide has a molecular weight of 358.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113157644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).