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

C11H11FN2O4S — CID 8849356

IUPACcyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC#N
InChIInChI=1S/C11H11FN2O4S/c1-8(11(15)18-7-6-13)14-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyWNRCXSLPDIPUGW-QMMMGPOBSA-N
MW286.28 g/mol
LogP0.56
Rot. Bonds5

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

cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 8849356) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namecyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID8849356
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Namecyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC#N
InChIInChI=1S/C11H11FN2O4S/c1-8(11(15)18-7-6-13)14-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyWNRCXSLPDIPUGW-QMMMGPOBSA-N
XLogP0.56
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
cyanomethyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849192
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849505
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328

Frequently Asked Questions

What is the IUPAC name of cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 8849356) is cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC#N.
What is the InChIKey of cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is WNRCXSLPDIPUGW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-8(11(15)18-7-6-13)14-19(16,17)10-5-3-2-4-9(10)12/h2-5,8,14H,7H2,1H3/t8-/m0/s1.
What are the key properties of cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 286.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8849356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).