2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

C21H19FN2O3S — CID 1303815

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN2O3S/c1-28(26,27)24(18-11-7-10-17(22)14-18)15-21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyFRRBXOVZGJXMNM-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 1303815) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
PubChem CID1303815
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN2O3S/c1-28(26,27)24(18-11-7-10-17(22)14-18)15-21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyFRRBXOVZGJXMNM-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide (CID 1303815) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is FRRBXOVZGJXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-28(26,27)24(18-11-7-10-17(22)14-18)15-21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1303815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).