7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid

C16H19NO5S — CID 89239885

IUPAC7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid
SMILESCC(Oc1ccc2ccc(S(=O)(=O)O)cc2c1)N1CCOCC1
InChIInChI=1S/C16H19NO5S/c1-12(17-6-8-21-9-7-17)22-15-4-2-13-3-5-16(23(18,19)20)11-14(13)10-15/h2-5,10-12H,6-9H2,1H3,(H,18,19,20)
InChIKeyKRPVQSKRHWBKDU-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.14
Rot. Bonds4

About 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid

7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid (PubChem CID 89239885) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid
PubChem CID89239885
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid
SMILESCC(Oc1ccc2ccc(S(=O)(=O)O)cc2c1)N1CCOCC1
InChIInChI=1S/C16H19NO5S/c1-12(17-6-8-21-9-7-17)22-15-4-2-13-3-5-16(23(18,19)20)11-14(13)10-15/h2-5,10-12H,6-9H2,1H3,(H,18,19,20)
InChIKeyKRPVQSKRHWBKDU-UHFFFAOYSA-N
XLogP2.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
5-(1-morpholin-4-ylethoxy)-1-benzofuran-2-carbaldehyde
CID 57220321
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
methyl (3S)-3-morpholin-4-yl-3-naphthalen-2-ylsulfonylpropanoate
CID 7326369
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
4-[1-[7-(1-morpholin-4-ylethoxy)dibenzofuran-2-yl]oxyethyl]morpholine;dihydrochloride
CID 141034719
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
CID 87246277
CID 87246277
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonic acid
CID 22352895
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147

Frequently Asked Questions

What is the IUPAC name of 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid?
The IUPAC name of 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid (CID 89239885) is 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid.
What is the SMILES notation for 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid?
The canonical SMILES for 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid is CC(Oc1ccc2ccc(S(=O)(=O)O)cc2c1)N1CCOCC1.
What is the InChIKey of 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid?
The InChIKey is KRPVQSKRHWBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-12(17-6-8-21-9-7-17)22-15-4-2-13-3-5-16(23(18,19)20)11-14(13)10-15/h2-5,10-12H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid?
7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid has a molecular weight of 337.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-morpholin-4-ylethoxy)naphthalene-2-sulfonic acid is sourced from PubChem (CID 89239885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).