2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine

C10H17NO5S — CID 17506

IUPAC2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
SMILESCCNCC.O=S(=O)(O)c1cc(O)ccc1O
InChIInChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
InChIKeyHBGOLJKPSFNJSD-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.96
Rot. Bonds3

About 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine

2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine (PubChem CID 17506) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine.

Molecular Properties

Compound Name2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
PubChem CID17506
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
SMILESCCNCC.O=S(=O)(O)c1cc(O)ccc1O
InChIInChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
InChIKeyHBGOLJKPSFNJSD-UHFFFAOYSA-N
XLogP0.96
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410
N-ethylethanamine;2-methylbenzene-1,4-diol;hydrobromide
CID 20502809
benzene-1,2,4-triol;ethanesulfonic acid
CID 173057683
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
2,5-dihydroxybenzenesulfonate
CID 3625248
azane;2,4-dihydroxybenzenesulfonic acid
CID 131881093
methyl 2,5-dihydroxybenzenesulfonate
CID 139035954
magnesium;bis(2,5-dihydroxybenzenesulfonate);hydrate
CID 141144154
2-(1,1-dihydroxypropyl)-4-hydroxybenzenesulfonic acid
CID 88790341
potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
CID 173416926
2-amino-4-(ethylaminomethyl)benzenesulfonic acid
CID 71408718

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine?
The IUPAC name of 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine (CID 17506) is 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine.
What is the SMILES notation for 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine?
The canonical SMILES for 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine is CCNCC.O=S(=O)(O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine?
The InChIKey is HBGOLJKPSFNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3.
What are the key properties of 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine?
2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine has a molecular weight of 263.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine is sourced from PubChem (CID 17506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).