potassium;hydride;3-sulfobenzoic acid

C7H7KO5S — CID 172995739

IUPACpotassium;hydride;3-sulfobenzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)O)c1.[H-].[K+]
InChIInChI=1S/C7H6O5S.K.H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyDNQPASQPTWWVDQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP-2.25
Rot. Bonds2

About potassium;hydride;3-sulfobenzoic acid

potassium;hydride;3-sulfobenzoic acid (PubChem CID 172995739) has the molecular formula C7H7KO5S and a molecular weight of 242.29 g/mol. Its IUPAC name is potassium;hydride;3-sulfobenzoic acid.

Molecular Properties

Compound Namepotassium;hydride;3-sulfobenzoic acid
PubChem CID172995739
Molecular FormulaC7H7KO5S
Molecular Weight242.29 g/mol
Exact Mass241.97
IUPAC Namepotassium;hydride;3-sulfobenzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)O)c1.[H-].[K+]
InChIInChI=1S/C7H6O5S.K.H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyDNQPASQPTWWVDQ-UHFFFAOYSA-N
XLogP-2.25
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;3-sulfobenzoic acid
CID 172995778
CID 87378552
CID 87378552
sodium;3-acetylbenzenesulfonic acid;hydride
CID 173448787
3-acetylbenzenesulfonic acid;hydrochloride
CID 174615071
3-chlorosulfonylbenzoic acid;hydrochloride
CID 87060062
CID 175726263
CID 175726263
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
3-propanoylbenzenesulfonic acid
CID 148597255
CID 174989035
CID 174989035
sodium;3,5-disulfobenzoic acid;hydride
CID 175227594
sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
CID 22027089
potassium benzenesulfonic acid
CID 19930600

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-sulfobenzoic acid?
The IUPAC name of potassium;hydride;3-sulfobenzoic acid (CID 172995739) is potassium;hydride;3-sulfobenzoic acid.
What is the SMILES notation for potassium;hydride;3-sulfobenzoic acid?
The canonical SMILES for potassium;hydride;3-sulfobenzoic acid is O=C(O)c1cccc(S(=O)(=O)O)c1.[H-].[K+].
What is the InChIKey of potassium;hydride;3-sulfobenzoic acid?
The InChIKey is DNQPASQPTWWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5S.K.H/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1.
What are the key properties of potassium;hydride;3-sulfobenzoic acid?
potassium;hydride;3-sulfobenzoic acid has a molecular weight of 242.29 g/mol, XLogP of -2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-sulfobenzoic acid is sourced from PubChem (CID 172995739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).