4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide

C16H12N2O5S — CID 135439790

IUPAC4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-9-13-15(19)12-3-1-2-4-14(12)23-16(13)20/h1-9,19H,(H2,17,21,22)/b18-9+
InChIKeyHBZKDACXEUYMBM-GIJQJNRQSA-N
MW344.35 g/mol
LogP1.90
Rot. Bonds3

About 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide

4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 135439790) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide
PubChem CID135439790
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-9-13-15(19)12-3-1-2-4-14(12)23-16(13)20/h1-9,19H,(H2,17,21,22)/b18-9+
InChIKeyHBZKDACXEUYMBM-GIJQJNRQSA-N
XLogP1.90
TPSA122.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide (CID 135439790) is 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is HBZKDACXEUYMBM-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12N2O5S/c17-24(21,22)11-7-5-10(6-8-11)18-9-13-15(19)12-3-1-2-4-14(12)23-16(13)20/h1-9,19H,(H2,17,21,22)/b18-9+.
What are the key properties of 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide?
4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 344.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135439790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).