N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide

C15H15FN2O3S — CID 773985

IUPACN-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeySBFOTVBHSKFQMM-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.23
Rot. Bonds5

About N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide

N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 773985) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID773985
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h2-10H,11H2,1H3,(H,17,19)
InChIKeySBFOTVBHSKFQMM-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
ethyl 4-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361162
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide (CID 773985) is N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is SBFOTVBHSKFQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 773985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).