potassium 2-amino-5-sulfobenzoate

C7H6KNO5S — CID 101305590

IUPACpotassium 2-amino-5-sulfobenzoate
SMILESNc1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+]
InChIInChI=1S/C7H7NO5S.K/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-1
InChIKeyRHHZWXVSPVFIIX-UHFFFAOYSA-M
MW255.29 g/mol
LogP-4.12
Rot. Bonds2

About potassium 2-amino-5-sulfobenzoate

potassium 2-amino-5-sulfobenzoate (PubChem CID 101305590) has the molecular formula C7H6KNO5S and a molecular weight of 255.29 g/mol. Its IUPAC name is potassium 2-amino-5-sulfobenzoate.

Molecular Properties

Compound Namepotassium 2-amino-5-sulfobenzoate
PubChem CID101305590
Molecular FormulaC7H6KNO5S
Molecular Weight255.29 g/mol
Exact Mass254.96
IUPAC Namepotassium 2-amino-5-sulfobenzoate
SMILESNc1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+]
InChIInChI=1S/C7H7NO5S.K/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-1
InChIKeyRHHZWXVSPVFIIX-UHFFFAOYSA-M
XLogP-4.12
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-4.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-sulfophenyl)-2-oxoacetic acid
CID 15250315
dipotassium;lead(2+);4-sulfophthalate;carbonate
CID 173410108
4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid
CID 131492484
dipotassium;3-amino-2-oxido-5-sulfobenzoate
CID 101305673
sodium 2,5-diaminobenzoate
CID 172707427
sodium 2-carboxy-5-sulfobenzoate
CID 23686671
4-amino-3-bromobenzenesulfonic acid
CID 18398323
2-amino-5-[(3-sulfophenyl)diazenyl]benzoic acid
CID 22706692
2-amino-5-iodobenzoate
CID 6919461
disodium bis(2-nitro-5-sulfobenzoate)
CID 166065535
2-amino-5-ethylsulfonylbenzoic acid
CID 141345275
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-5-sulfobenzoate?
The IUPAC name of potassium 2-amino-5-sulfobenzoate (CID 101305590) is potassium 2-amino-5-sulfobenzoate.
What is the SMILES notation for potassium 2-amino-5-sulfobenzoate?
The canonical SMILES for potassium 2-amino-5-sulfobenzoate is Nc1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+].
What is the InChIKey of potassium 2-amino-5-sulfobenzoate?
The InChIKey is RHHZWXVSPVFIIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO5S.K/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium 2-amino-5-sulfobenzoate?
potassium 2-amino-5-sulfobenzoate has a molecular weight of 255.29 g/mol, XLogP of -4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-5-sulfobenzoate is sourced from PubChem (CID 101305590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).