4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid

C14H18N2O5S — CID 15450988

IUPAC4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc(NCCNCCO)ccc2c1
InChIInChI=1S/C14H18N2O5S/c17-6-5-15-3-4-16-11-2-1-10-7-12(22(19,20)21)9-14(18)13(10)8-11/h1-2,7-9,15-18H,3-6H2,(H,19,20,21)
InChIKeyUAEJYCCWTULGMS-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.79
Rot. Bonds7

About 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid

4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid (PubChem CID 15450988) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid
PubChem CID15450988
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc(NCCNCCO)ccc2c1
InChIInChI=1S/C14H18N2O5S/c17-6-5-15-3-4-16-11-2-1-10-7-12(22(19,20)21)9-14(18)13(10)8-11/h1-2,7-9,15-18H,3-6H2,(H,19,20,21)
InChIKeyUAEJYCCWTULGMS-UHFFFAOYSA-N
XLogP0.79
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-acetamidoethylamino)-4-hydroxynaphthalene-2-sulfonic acid
CID 154302550
4-hydroxy-6-(3-methyl-4-sulfoanilino)naphthalene-2-sulfonic acid
CID 88759239
7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 23385799
4-hydroxy-6-[2-hydroxy-5-(2-hydroxyethylsulfonyl)anilino]naphthalene-2-sulfonic acid
CID 142136529
4-hydroxy-6-(1-hydroxyethylamino)naphthalene-2-sulfonic acid
CID 88791911
2-[(8-hydroxy-6-sulfonaphthalen-2-yl)amino]propanoic acid
CID 23367264
7-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 11719055
6-(5-chloro-2-hydroxyanilino)-4-hydroxynaphthalene-2-sulfonic acid
CID 174450871
7-[(4-fluorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589449
4-methyl-6-(methylamino)naphthalene-2-sulfonic acid
CID 54239227
6-acetamido-4-hydroxynaphthalene-2-sulfonic acid;6-[acetyl(methyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 88729795
6-(3-sulfopropylamino)naphthalene-1,3-disulfonic acid
CID 138658139

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid (CID 15450988) is 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid is O=S(=O)(O)c1cc(O)c2cc(NCCNCCO)ccc2c1.
What is the InChIKey of 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid?
The InChIKey is UAEJYCCWTULGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c17-6-5-15-3-4-16-11-2-1-10-7-12(22(19,20)21)9-14(18)13(10)8-11/h1-2,7-9,15-18H,3-6H2,(H,19,20,21).
What are the key properties of 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid?
4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid has a molecular weight of 326.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(2-hydroxyethylamino)ethylamino]naphthalene-2-sulfonic acid is sourced from PubChem (CID 15450988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).