(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C16H15F2NO4S — CID 2485757

IUPAC(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1F
InChIInChI=1S/C16H15F2NO4S/c1-11(16(20)23-10-12-6-2-3-7-13(12)17)19-24(21,22)15-9-5-4-8-14(15)18/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyFIVIZBNEOPTCIB-NSHDSACASA-N
MW355.36 g/mol
LogP2.38
Rot. Bonds6

About (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 2485757) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID2485757
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1F
InChIInChI=1S/C16H15F2NO4S/c1-11(16(20)23-10-12-6-2-3-7-13(12)17)19-24(21,22)15-9-5-4-8-14(15)18/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyFIVIZBNEOPTCIB-NSHDSACASA-N
XLogP2.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 2485757) is (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is FIVIZBNEOPTCIB-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-11(16(20)23-10-12-6-2-3-7-13(12)17)19-24(21,22)15-9-5-4-8-14(15)18/h2-9,11,19H,10H2,1H3/t11-/m0/s1.
What are the key properties of (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
(2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 355.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2485757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).