1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone

C16H16FNO3S — CID 75442202

IUPAC1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16FNO3S/c1-12(19)16-14(17)8-5-9-15(16)18-10-11-22(20,21)13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3
InChIKeyCGWYJAKCARJRND-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.91
Rot. Bonds6

About 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone

1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone (PubChem CID 75442202) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
PubChem CID75442202
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16FNO3S/c1-12(19)16-14(17)8-5-9-15(16)18-10-11-22(20,21)13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3
InChIKeyCGWYJAKCARJRND-UHFFFAOYSA-N
XLogP2.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
2-fluoro-6-(3-methylsulfonylpropylamino)benzoic acid
CID 79522433
1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
CID 133434709
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
4-acetyl-3-[2-(benzenesulfonyl)ethylamino]benzonitrile
CID 133456824
1-[2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-6-fluorophenyl]ethanone
CID 133433973
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
CID 133331272
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
CID 133435868
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone (CID 75442202) is 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone?
The InChIKey is CGWYJAKCARJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-12(19)16-14(17)8-5-9-15(16)18-10-11-22(20,21)13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone?
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone has a molecular weight of 321.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone is sourced from PubChem (CID 75442202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).