potassium 1H-indole-5-sulfonate

C8H6KNO3S — CID 141077101

IUPACpotassium 1H-indole-5-sulfonate
SMILESO=S(=O)([O-])c1ccc2[nH]ccc2c1.[K+]
InChIInChI=1S/C8H7NO3S.K/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChIKeyJGGUTDRVQWFERH-UHFFFAOYSA-M
MW235.31 g/mol
LogP-1.92
Rot. Bonds1

About potassium 1H-indole-5-sulfonate

potassium 1H-indole-5-sulfonate (PubChem CID 141077101) has the molecular formula C8H6KNO3S and a molecular weight of 235.31 g/mol. Its IUPAC name is potassium 1H-indole-5-sulfonate.

Molecular Properties

Compound Namepotassium 1H-indole-5-sulfonate
PubChem CID141077101
Molecular FormulaC8H6KNO3S
Molecular Weight235.31 g/mol
Exact Mass234.97
IUPAC Namepotassium 1H-indole-5-sulfonate
SMILESO=S(=O)([O-])c1ccc2[nH]ccc2c1.[K+]
InChIInChI=1S/C8H7NO3S.K/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChIKeyJGGUTDRVQWFERH-UHFFFAOYSA-M
XLogP-1.92
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(nitromethylsulfonyl)-1H-indole
CID 23167332
5-cyclopropylsulfonyl-1H-indole
CID 67616628
5-(sulfamoylamino)-1H-indole
CID 112573166
N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
5-(dimethylsulfamoylamino)-1H-indole
CID 22611354
5-(1,4-diazepan-1-ylsulfonyl)-1H-indole
CID 53213438
CID 58930948
CID 58930948
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
CID 5239673
N-methylsulfanyl-1H-indol-5-amine
CID 143039504
1H-indole-6-sulfonic acid;hydrochloride
CID 174816871
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963

Frequently Asked Questions

What is the IUPAC name of potassium 1H-indole-5-sulfonate?
The IUPAC name of potassium 1H-indole-5-sulfonate (CID 141077101) is potassium 1H-indole-5-sulfonate.
What is the SMILES notation for potassium 1H-indole-5-sulfonate?
The canonical SMILES for potassium 1H-indole-5-sulfonate is O=S(=O)([O-])c1ccc2[nH]ccc2c1.[K+].
What is the InChIKey of potassium 1H-indole-5-sulfonate?
The InChIKey is JGGUTDRVQWFERH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO3S.K/c10-13(11,12)7-1-2-8-6(5-7)3-4-9-8;/h1-5,9H,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 1H-indole-5-sulfonate?
potassium 1H-indole-5-sulfonate has a molecular weight of 235.31 g/mol, XLogP of -1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1H-indole-5-sulfonate is sourced from PubChem (CID 141077101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).