methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate

C11H14FNO4S — CID 60715311

IUPACmethyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-8(11(14)17-2)13-18(15,16)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyZSVRICBZPXURRZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.81
Rot. Bonds5

About methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate

methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate (PubChem CID 60715311) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
PubChem CID60715311
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-8(11(14)17-2)13-18(15,16)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyZSVRICBZPXURRZ-UHFFFAOYSA-N
XLogP0.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
methyl 2-[(2-aminophenyl)methylsulfonylamino]propanoate
CID 62021871
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 94081674

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate (CID 60715311) is methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate?
The InChIKey is ZSVRICBZPXURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8(11(14)17-2)13-18(15,16)7-9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate?
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate has a molecular weight of 275.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate is sourced from PubChem (CID 60715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).