2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid

C9H11NO6S — CID 170824387

IUPAC2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
SMILESNS(=O)(=O)c1ccc(C(O)C(O)C(=O)O)cc1
InChIInChI=1S/C9H11NO6S/c10-17(15,16)6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)(H2,10,15,16)
InChIKeyWYQRNPYXKUHIFP-UHFFFAOYSA-N
MW261.25 g/mol
LogP-1.19
Rot. Bonds4

About 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid

2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid (PubChem CID 170824387) has the molecular formula C9H11NO6S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
PubChem CID170824387
Molecular FormulaC9H11NO6S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC Name2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
SMILESNS(=O)(=O)c1ccc(C(O)C(O)C(=O)O)cc1
InChIInChI=1S/C9H11NO6S/c10-17(15,16)6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)(H2,10,15,16)
InChIKeyWYQRNPYXKUHIFP-UHFFFAOYSA-N
XLogP-1.19
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(3-sulfamoylphenyl)propanoic acid
CID 170824386
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide
CID 25155085
3-(4-ethynylphenyl)-2,3-dihydroxypropanoic acid
CID 170823533
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
CID 170823892
4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060
2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 170823909
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
(2S,3S)-2,3-dibromo-3-(4-sulfamoylphenyl)propanoate
CID 2308770
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid (CID 170824387) is 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid is NS(=O)(=O)c1ccc(C(O)C(O)C(=O)O)cc1.
What is the InChIKey of 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid?
The InChIKey is WYQRNPYXKUHIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6S/c10-17(15,16)6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)(H2,10,15,16).
What are the key properties of 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid?
2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid has a molecular weight of 261.25 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid is sourced from PubChem (CID 170824387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).