(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate

C14H14N2O5S — CID 166949920

IUPAC(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate
SMILESCC(NS(=O)(=O)c1cccnc1)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C14H14N2O5S/c1-10(14(18)21-12-6-4-11(17)5-7-12)16-22(19,20)13-3-2-8-15-9-13/h2-10,16-17H,1H3
InChIKeyRIRKFIISCHEYIU-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.06
Rot. Bonds5

About (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate

(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate (PubChem CID 166949920) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate
PubChem CID166949920
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate
SMILESCC(NS(=O)(=O)c1cccnc1)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C14H14N2O5S/c1-10(14(18)21-12-6-4-11(17)5-7-12)16-22(19,20)13-3-2-8-15-9-13/h2-10,16-17H,1H3
InChIKeyRIRKFIISCHEYIU-UHFFFAOYSA-N
XLogP1.06
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(2S)-2-(pyridin-3-ylsulfonylamino)propanoyl]oxyphenyl] (2S)-2-(pyridin-3-ylsulfonylamino)propanoate
CID 142590055
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(4-hydroxyphenyl) 2-(methylamino)propanoate
CID 77292098
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate?
The IUPAC name of (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate (CID 166949920) is (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate?
The canonical SMILES for (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate is CC(NS(=O)(=O)c1cccnc1)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate?
The InChIKey is RIRKFIISCHEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-10(14(18)21-12-6-4-11(17)5-7-12)16-22(19,20)13-3-2-8-15-9-13/h2-10,16-17H,1H3.
What are the key properties of (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate?
(4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate has a molecular weight of 322.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-(pyridin-3-ylsulfonylamino)propanoate is sourced from PubChem (CID 166949920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).