2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid

C11H13NO5S — CID 169454184

IUPAC2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H13NO5S/c13-7-1-2-9-3-5-10(6-4-9)18(16,17)12-8-11(14)15/h1-6,12-13H,7-8H2,(H,14,15)
InChIKeyMKYUWYBRJRGEDL-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.05
Rot. Bonds6

About 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid

2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid (PubChem CID 169454184) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
PubChem CID169454184
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H13NO5S/c13-7-1-2-9-3-5-10(6-4-9)18(16,17)12-8-11(14)15/h1-6,12-13H,7-8H2,(H,14,15)
InChIKeyMKYUWYBRJRGEDL-UHFFFAOYSA-N
XLogP0.05
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
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2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
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2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
2-[[4-(1,2,4-trihydroxybutyl)phenyl]sulfonylamino]acetic acid
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2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid (CID 169454184) is 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(C=CCO)cc1.
What is the InChIKey of 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid?
The InChIKey is MKYUWYBRJRGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-7-1-2-9-3-5-10(6-4-9)18(16,17)12-8-11(14)15/h1-6,12-13H,7-8H2,(H,14,15).
What are the key properties of 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid?
2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid has a molecular weight of 271.29 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 169454184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).