potassium 1H-indol-3-yl sulfate

C8H6KNO4S — CID 5177095

IUPACpotassium 1H-indol-3-yl sulfate
SMILESO=S(=O)([O-])Oc1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChIKeyMDAWATNFDJIBBD-UHFFFAOYSA-M
MW251.30 g/mol
LogP-1.99
Rot. Bonds2

About potassium 1H-indol-3-yl sulfate

potassium 1H-indol-3-yl sulfate (PubChem CID 5177095) has the molecular formula C8H6KNO4S and a molecular weight of 251.30 g/mol. Its IUPAC name is potassium 1H-indol-3-yl sulfate.

Molecular Properties

Compound Namepotassium 1H-indol-3-yl sulfate
PubChem CID5177095
Molecular FormulaC8H6KNO4S
Molecular Weight251.30 g/mol
Exact Mass250.97
IUPAC Namepotassium 1H-indol-3-yl sulfate
SMILESO=S(=O)([O-])Oc1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChIKeyMDAWATNFDJIBBD-UHFFFAOYSA-M
XLogP-1.99
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1H-indol-3-yl sulfate?
The IUPAC name of potassium 1H-indol-3-yl sulfate (CID 5177095) is potassium 1H-indol-3-yl sulfate.
What is the SMILES notation for potassium 1H-indol-3-yl sulfate?
The canonical SMILES for potassium 1H-indol-3-yl sulfate is O=S(=O)([O-])Oc1c[nH]c2ccccc12.[K+].
What is the InChIKey of potassium 1H-indol-3-yl sulfate?
The InChIKey is MDAWATNFDJIBBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 1H-indol-3-yl sulfate?
potassium 1H-indol-3-yl sulfate has a molecular weight of 251.30 g/mol, XLogP of -1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1H-indol-3-yl sulfate is sourced from PubChem (CID 5177095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).