(2R)-2-(4-sulfamoylphenyl)propanoic acid

C9H11NO4S — CID 124571575

IUPAC(2R)-2-(4-sulfamoylphenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)/t6-/m1/s1
InChIKeyGTNIHNXJMUVRBM-ZCFIWIBFSA-N
MW229.26 g/mol
LogP0.52
Rot. Bonds3

About (2R)-2-(4-sulfamoylphenyl)propanoic acid

(2R)-2-(4-sulfamoylphenyl)propanoic acid (PubChem CID 124571575) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is (2R)-2-(4-sulfamoylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-sulfamoylphenyl)propanoic acid
PubChem CID124571575
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name(2R)-2-(4-sulfamoylphenyl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)/t6-/m1/s1
InChIKeyGTNIHNXJMUVRBM-ZCFIWIBFSA-N
XLogP0.52
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
CID 170824387
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
ethane;1-(4-sulfamoylphenyl)ethyl acetate
CID 143172857
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
CID 66808736
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
2-phenylpropanoic acid;hydrate
CID 139796091
benzenesulfonamide;2-methylpropane
CID 157350693
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-sulfamoylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-sulfamoylphenyl)propanoic acid (CID 124571575) is (2R)-2-(4-sulfamoylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-sulfamoylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-sulfamoylphenyl)propanoic acid is C[C@@H](C(=O)O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-sulfamoylphenyl)propanoic acid?
The InChIKey is GTNIHNXJMUVRBM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6(9(11)12)7-2-4-8(5-3-7)15(10,13)14/h2-6H,1H3,(H,11,12)(H2,10,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(4-sulfamoylphenyl)propanoic acid?
(2R)-2-(4-sulfamoylphenyl)propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-sulfamoylphenyl)propanoic acid is sourced from PubChem (CID 124571575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).