2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide

C15H13BrF2N2O3S — CID 2210419

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(11-5-2-4-10(16)8-11)9-14(21)19-15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZYAKUSRPZDAJKW-UHFFFAOYSA-N
MW419.25 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide

2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 2210419) has the molecular formula C15H13BrF2N2O3S and a molecular weight of 419.25 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
PubChem CID2210419
Molecular FormulaC15H13BrF2N2O3S
Molecular Weight419.25 g/mol
Exact Mass417.98
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(11-5-2-4-10(16)8-11)9-14(21)19-15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZYAKUSRPZDAJKW-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
N-(2,6-difluorophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2208111
2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4876024
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
2-(3-bromo-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2279634
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,6-difluorophenyl)acetamide
CID 2976519
2-(3-bromo-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28589865
2-(3-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28632601
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide (CID 2210419) is 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is ZYAKUSRPZDAJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(11-5-2-4-10(16)8-11)9-14(21)19-15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 419.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2210419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).