2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

C17H16FNO5S — CID 2569504

IUPAC2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H16FNO5S/c1-11-9-13(18)7-8-16(11)25(22,23)19-15-6-4-3-5-14(15)17(21)24-10-12(2)20/h3-9,19H,10H2,1-2H3
InChIKeyOBICODQSKJOXDK-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.68
Rot. Bonds6

About 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 2569504) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID2569504
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H16FNO5S/c1-11-9-13(18)7-8-16(11)25(22,23)19-15-6-4-3-5-14(15)17(21)24-10-12(2)20/h3-9,19H,10H2,1-2H3
InChIKeyOBICODQSKJOXDK-UHFFFAOYSA-N
XLogP2.68
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569608
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569537
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 4783886
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529273
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 18198922
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 9068321
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 2569504) is 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is CC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is OBICODQSKJOXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-11-9-13(18)7-8-16(11)25(22,23)19-15-6-4-3-5-14(15)17(21)24-10-12(2)20/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 365.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2569504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).