5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate

C17H12NO8S2- — CID 3366269

IUPAC5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(/N=C/c2ccccc2O)c2c(O)cc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)/p-1/b18-9+
InChIKeyDUCCKQSNXPFEGT-GIJQJNRQSA-M
MW422.42 g/mol
LogP2.15
Rot. Bonds4

About 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate

5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate (PubChem CID 3366269) has the molecular formula C17H12NO8S2- and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate.

Molecular Properties

Compound Name5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate
PubChem CID3366269
Molecular FormulaC17H12NO8S2-
Molecular Weight422.42 g/mol
Exact Mass422.00
IUPAC Name5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(/N=C/c2ccccc2O)c2c(O)cc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)/p-1/b18-9+
InChIKeyDUCCKQSNXPFEGT-GIJQJNRQSA-M
XLogP2.15
TPSA164.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydron;4-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]naphthalene-2,7-disulfonate
CID 164512225
sodium 5-hydroxy-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate
CID 137207477
Chromotropic acid sodium salt
CID 88518702
8-(quinolin-8-ylmethylideneamino)naphthalene-1,3,6-trisulfonic acid
CID 15101192
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475
4-[[2,4-dihydroxy-5-[(4-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 136785108
disodium;4-hydroxy-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate
CID 170839401
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate?
The IUPAC name of 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate (CID 3366269) is 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate.
What is the SMILES notation for 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate?
The canonical SMILES for 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate is O=S(=O)([O-])c1cc(/N=C/c2ccccc2O)c2c(O)cc(S(=O)(=O)O)cc2c1.
What is the InChIKey of 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate?
The InChIKey is DUCCKQSNXPFEGT-GIJQJNRQSA-M. The full InChI is InChI=1S/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)/p-1/b18-9+.
What are the key properties of 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate?
5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate has a molecular weight of 422.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 3366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).