2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide

C21H19FN2O3S — CID 1288293

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S/c1-16-6-5-7-19(14-16)24(28(26,27)20-8-3-2-4-9-20)15-21(25)23-18-12-10-17(22)11-13-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyHILOLFOXPMNJJE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.97
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide (PubChem CID 1288293) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
PubChem CID1288293
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19FN2O3S/c1-16-6-5-7-19(14-16)24(28(26,27)20-8-3-2-4-9-20)15-21(25)23-18-12-10-17(22)11-13-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyHILOLFOXPMNJJE-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1337068
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880207
2-[N-(benzenesulfonyl)-3-methylanilino]-N-dibenzofuran-3-ylacetamide
CID 2916107
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881710
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide (CID 1288293) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide?
The InChIKey is HILOLFOXPMNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-16-6-5-7-19(14-16)24(28(26,27)20-8-3-2-4-9-20)15-21(25)23-18-12-10-17(22)11-13-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1288293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).