3-phenyl-2-sulfamoylpropanoic acid

C9H11NO4S — CID 70062822

IUPAC3-phenyl-2-sulfamoylpropanoic acid
SMILESNS(=O)(=O)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H2,10,13,14)
InChIKeyDSWRZDITDDIENG-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.03
Rot. Bonds4

About 3-phenyl-2-sulfamoylpropanoic acid

3-phenyl-2-sulfamoylpropanoic acid (PubChem CID 70062822) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-phenyl-2-sulfamoylpropanoic acid.

Molecular Properties

Compound Name3-phenyl-2-sulfamoylpropanoic acid
PubChem CID70062822
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name3-phenyl-2-sulfamoylpropanoic acid
SMILESNS(=O)(=O)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H2,10,13,14)
InChIKeyDSWRZDITDDIENG-UHFFFAOYSA-N
XLogP-0.03
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methylsulfonyl-3-phenylpropanoic acid
CID 93311954
1,3-diphenylpropane-2-sulfonamide
CID 62084735
2-(oxolan-3-ylsulfonyl)-3-phenylpropanoic acid
CID 63558168
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-heptylsulfonyl-3-phenylpropanoic acid
CID 60793032
2-(cyclopentylmethylsulfonyl)-3-phenylpropanoic acid
CID 61342443
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
2-(3-methoxypropylsulfonyl)-3-phenylpropanoic acid
CID 54935646
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfamoylpropanoic acid?
The IUPAC name of 3-phenyl-2-sulfamoylpropanoic acid (CID 70062822) is 3-phenyl-2-sulfamoylpropanoic acid.
What is the SMILES notation for 3-phenyl-2-sulfamoylpropanoic acid?
The canonical SMILES for 3-phenyl-2-sulfamoylpropanoic acid is NS(=O)(=O)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-sulfamoylpropanoic acid?
The InChIKey is DSWRZDITDDIENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c10-15(13,14)8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H2,10,13,14).
What are the key properties of 3-phenyl-2-sulfamoylpropanoic acid?
3-phenyl-2-sulfamoylpropanoic acid has a molecular weight of 229.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfamoylpropanoic acid is sourced from PubChem (CID 70062822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).