1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid

C16H14N2O6S2 — CID 88674166

IUPAC1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
SMILESNc1cc(O)ccc1S(=O)(=O)Nc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C16H14N2O6S2/c17-13-9-11(19)6-8-14(13)25(20,21)18-16-12-4-2-1-3-10(12)5-7-15(16)26(22,23)24/h1-9,18-19H,17H2,(H,22,23,24)
InChIKeyRXEQSXLXYITSGL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.18
Rot. Bonds4

About 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid

1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid (PubChem CID 88674166) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
PubChem CID88674166
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
SMILESNc1cc(O)ccc1S(=O)(=O)Nc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C16H14N2O6S2/c17-13-9-11(19)6-8-14(13)25(20,21)18-16-12-4-2-1-3-10(12)5-7-15(16)26(22,23)24/h1-9,18-19H,17H2,(H,22,23,24)
InChIKeyRXEQSXLXYITSGL-UHFFFAOYSA-N
XLogP2.18
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The IUPAC name of 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid (CID 88674166) is 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid.
What is the SMILES notation for 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The canonical SMILES for 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid is Nc1cc(O)ccc1S(=O)(=O)Nc1c(S(=O)(=O)O)ccc2ccccc12.
What is the InChIKey of 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
The InChIKey is RXEQSXLXYITSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c17-13-9-11(19)6-8-14(13)25(20,21)18-16-12-4-2-1-3-10(12)5-7-15(16)26(22,23)24/h1-9,18-19H,17H2,(H,22,23,24).
What are the key properties of 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid?
1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid has a molecular weight of 394.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid is sourced from PubChem (CID 88674166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).