2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide

C16H16F2N2O3S — CID 45372015

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16F2N2O3S/c1-2-20(24(22,23)12-7-4-3-5-8-12)11-15(21)19-16-13(17)9-6-10-14(16)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyNYWHBDQIBYBKAR-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.61
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 45372015) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
PubChem CID45372015
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16F2N2O3S/c1-2-20(24(22,23)12-7-4-3-5-8-12)11-15(21)19-16-13(17)9-6-10-14(16)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyNYWHBDQIBYBKAR-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 25163577
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 24982037
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide (CID 45372015) is 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is NYWHBDQIBYBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-2-20(24(22,23)12-7-4-3-5-8-12)11-15(21)19-16-13(17)9-6-10-14(16)18/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 45372015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).