[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate

C17H16FNO5S — CID 7740719

IUPAC[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
SMILESC[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO5S/c1-11(16(20)12-7-9-13(18)10-8-12)24-17(21)14-5-3-4-6-15(14)19-25(2,22)23/h3-11,19H,1-2H3/t11-/m0/s1
InChIKeyMVZHRYOKUUIGDZ-NSHDSACASA-N
MW365.38 g/mol
LogP2.63
Rot. Bonds6

About [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate (PubChem CID 7740719) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
PubChem CID7740719
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
SMILESC[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO5S/c1-11(16(20)12-7-9-13(18)10-8-12)24-17(21)14-5-3-4-6-15(14)19-25(2,22)23/h3-11,19H,1-2H3/t11-/m0/s1
InChIKeyMVZHRYOKUUIGDZ-NSHDSACASA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2455378
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(methanesulfonamido)benzoate
CID 16519183
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
CID 46646668
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 25362845
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-methylsulfonylbenzoate
CID 39939300
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 7724844
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 18102660
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740648
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate (CID 7740719) is [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate is C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate?
The InChIKey is MVZHRYOKUUIGDZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-11(16(20)12-7-9-13(18)10-8-12)24-17(21)14-5-3-4-6-15(14)19-25(2,22)23/h3-11,19H,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate?
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate has a molecular weight of 365.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 7740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).