(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

C17H17FN2O5S — CID 55316027

IUPAC(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C(N)=O
InChIInChI=1S/C17H17FN2O5S/c1-10-9-12(18)7-8-15(10)26(23,24)20-14-6-4-3-5-13(14)17(22)25-11(2)16(19)21/h3-9,11,20H,1-2H3,(H2,19,21)
InChIKeyUFNCGJDAGMAAMX-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.97
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 55316027) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID55316027
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C(N)=O
InChIInChI=1S/C17H17FN2O5S/c1-10-9-12(18)7-8-15(10)26(23,24)20-14-6-4-3-5-13(14)17(22)25-11(2)16(19)21/h3-9,11,20H,1-2H3,(H2,19,21)
InChIKeyUFNCGJDAGMAAMX-UHFFFAOYSA-N
XLogP1.97
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
[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
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55390190
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569608
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 55316027) is (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is UFNCGJDAGMAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-10-9-12(18)7-8-15(10)26(23,24)20-14-6-4-3-5-13(14)17(22)25-11(2)16(19)21/h3-9,11,20H,1-2H3,(H2,19,21).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 380.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 55316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).