(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid

C12H14FNO5S — CID 89120204

IUPAC(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
SMILESC=C(F)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H14FNO5S/c1-8(13)7-11(12(15)16)14-20(17,18)10-5-3-9(19-2)4-6-10/h3-6,11,14H,1,7H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyMCPHKJQROLLGOE-LLVKDONJSA-N
MW303.31 g/mol
LogP1.30
Rot. Bonds7

About (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid

(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid (PubChem CID 89120204) has the molecular formula C12H14FNO5S and a molecular weight of 303.31 g/mol. Its IUPAC name is (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
PubChem CID89120204
Molecular FormulaC12H14FNO5S
Molecular Weight303.31 g/mol
Exact Mass303.06
IUPAC Name(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
SMILESC=C(F)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C12H14FNO5S/c1-8(13)7-11(12(15)16)14-20(17,18)10-5-3-9(19-2)4-6-10/h3-6,11,14H,1,7H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyMCPHKJQROLLGOE-LLVKDONJSA-N
XLogP1.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645675
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 89123750
(2R)-4-benzylimino-2-[(4-methoxyphenyl)sulfonylamino]-4-phenylmethoxybutanoic acid
CID 70086738
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404775
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331

Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The IUPAC name of (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid (CID 89120204) is (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid.
What is the SMILES notation for (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The canonical SMILES for (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid is C=C(F)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
The InChIKey is MCPHKJQROLLGOE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FNO5S/c1-8(13)7-11(12(15)16)14-20(17,18)10-5-3-9(19-2)4-6-10/h3-6,11,14H,1,7H2,2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid?
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid has a molecular weight of 303.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid is sourced from PubChem (CID 89120204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).