2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide

C18H21FN2O3S — CID 3109560

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyXVLLZPUISMEJHS-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.89
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide (PubChem CID 3109560) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
PubChem CID3109560
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3
InChIKeyXVLLZPUISMEJHS-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132681757
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
CID 30169640
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2249406
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
ethyl 4-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]benzoate
CID 1103794
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide (CID 3109560) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide?
The InChIKey is XVLLZPUISMEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-20(4-2)18(22)14-21(16-12-10-15(19)11-13-16)25(23,24)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide has a molecular weight of 364.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide is sourced from PubChem (CID 3109560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).