(4-oxo-3-phenylchromen-7-yl)sulfamic acid

C15H11NO5S — CID 23448951

IUPAC(4-oxo-3-phenylchromen-7-yl)sulfamic acid
SMILESO=c1c(-c2ccccc2)coc2cc(NS(=O)(=O)O)ccc12
InChIInChI=1S/C15H11NO5S/c17-15-12-7-6-11(16-22(18,19)20)8-14(12)21-9-13(15)10-4-2-1-3-5-10/h1-9,16H,(H,18,19,20)
InChIKeyHTZNGBCUEKHYTE-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.67
Rot. Bonds3

About (4-oxo-3-phenylchromen-7-yl)sulfamic acid

(4-oxo-3-phenylchromen-7-yl)sulfamic acid (PubChem CID 23448951) has the molecular formula C15H11NO5S and a molecular weight of 317.32 g/mol. Its IUPAC name is (4-oxo-3-phenylchromen-7-yl)sulfamic acid.

Molecular Properties

Compound Name(4-oxo-3-phenylchromen-7-yl)sulfamic acid
PubChem CID23448951
Molecular FormulaC15H11NO5S
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name(4-oxo-3-phenylchromen-7-yl)sulfamic acid
SMILESO=c1c(-c2ccccc2)coc2cc(NS(=O)(=O)O)ccc12
InChIInChI=1S/C15H11NO5S/c17-15-12-7-6-11(16-22(18,19)20)8-14(12)21-9-13(15)10-4-2-1-3-5-10/h1-9,16H,(H,18,19,20)
InChIKeyHTZNGBCUEKHYTE-UHFFFAOYSA-N
XLogP2.67
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenylchromen-7-yl)sulfamic acid?
The IUPAC name of (4-oxo-3-phenylchromen-7-yl)sulfamic acid (CID 23448951) is (4-oxo-3-phenylchromen-7-yl)sulfamic acid.
What is the SMILES notation for (4-oxo-3-phenylchromen-7-yl)sulfamic acid?
The canonical SMILES for (4-oxo-3-phenylchromen-7-yl)sulfamic acid is O=c1c(-c2ccccc2)coc2cc(NS(=O)(=O)O)ccc12.
What is the InChIKey of (4-oxo-3-phenylchromen-7-yl)sulfamic acid?
The InChIKey is HTZNGBCUEKHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5S/c17-15-12-7-6-11(16-22(18,19)20)8-14(12)21-9-13(15)10-4-2-1-3-5-10/h1-9,16H,(H,18,19,20).
What are the key properties of (4-oxo-3-phenylchromen-7-yl)sulfamic acid?
(4-oxo-3-phenylchromen-7-yl)sulfamic acid has a molecular weight of 317.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenylchromen-7-yl)sulfamic acid is sourced from PubChem (CID 23448951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).