(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid

C9H9FO4S — CID 28753557

IUPAC(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
SMILESC[C@H](C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4S/c1-6(9(11)12)15(13,14)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyMONMTZLCRRBKIN-ZCFIWIBFSA-N
MW232.23 g/mol
LogP1.07
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid

(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid (PubChem CID 28753557) has the molecular formula C9H9FO4S and a molecular weight of 232.23 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
PubChem CID28753557
Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
SMILESC[C@H](C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4S/c1-6(9(11)12)15(13,14)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1
InChIKeyMONMTZLCRRBKIN-ZCFIWIBFSA-N
XLogP1.07
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(4-ethylphenyl)sulfonylpropanoic acid
CID 82020942
2-(2,4-difluorophenyl)sulfonylpropanoic acid
CID 43345424
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
CID 55739528
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylpropanoic acid
CID 82165157

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid?
The IUPAC name of (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid (CID 28753557) is (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid?
The canonical SMILES for (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid is C[C@H](C(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid?
The InChIKey is MONMTZLCRRBKIN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9FO4S/c1-6(9(11)12)15(13,14)8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid?
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid has a molecular weight of 232.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 28753557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).