5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide

C16H13N3O5S — CID 162647216

IUPAC5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(/N=N/c2cc3ccc(=O)oc3cc2O)cc1S(N)(=O)=O
InChIInChI=1S/C16H13N3O5S/c1-9-2-4-11(7-15(9)25(17,22)23)18-19-12-6-10-3-5-16(21)24-14(10)8-13(12)20/h2-8,20H,1H3,(H2,17,22,23)/b19-18+
InChIKeyMEOGTYKMQWJARH-VHEBQXMUSA-N
MW359.36 g/mol
LogP2.87
Rot. Bonds3

About 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide

5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide (PubChem CID 162647216) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide
PubChem CID162647216
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(/N=N/c2cc3ccc(=O)oc3cc2O)cc1S(N)(=O)=O
InChIInChI=1S/C16H13N3O5S/c1-9-2-4-11(7-15(9)25(17,22)23)18-19-12-6-10-3-5-16(21)24-14(10)8-13(12)20/h2-8,20H,1H3,(H2,17,22,23)/b19-18+
InChIKeyMEOGTYKMQWJARH-VHEBQXMUSA-N
XLogP2.87
TPSA135.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide (CID 162647216) is 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide is Cc1ccc(/N=N/c2cc3ccc(=O)oc3cc2O)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide?
The InChIKey is MEOGTYKMQWJARH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-9-2-4-11(7-15(9)25(17,22)23)18-19-12-6-10-3-5-16(21)24-14(10)8-13(12)20/h2-8,20H,1H3,(H2,17,22,23)/b19-18+.
What are the key properties of 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide?
5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide has a molecular weight of 359.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 162647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).