(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C23H19NO7S — CID 2472637

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1ccc2c(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc(=O)oc2c1
InChIInChI=1S/C23H19NO7S/c1-15-4-9-20-17(12-22(25)31-21(20)11-15)14-30-23(26)16-5-7-19(8-6-16)32(27,28)24-13-18-3-2-10-29-18/h2-12,24H,13-14H2,1H3
InChIKeyJDXCOZNJRWITFS-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.53
Rot. Bonds7

About (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2472637) has the molecular formula C23H19NO7S and a molecular weight of 453.47 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2472637
Molecular FormulaC23H19NO7S
Molecular Weight453.47 g/mol
Exact Mass453.09
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCc1ccc2c(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc(=O)oc2c1
InChIInChI=1S/C23H19NO7S/c1-15-4-9-20-17(12-22(25)31-21(20)11-15)14-30-23(26)16-5-7-19(8-6-16)32(27,28)24-13-18-3-2-10-29-18/h2-12,24H,13-14H2,1H3
InChIKeyJDXCOZNJRWITFS-UHFFFAOYSA-N
XLogP3.53
TPSA115.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2472637) is (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is JDXCOZNJRWITFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO7S/c1-15-4-9-20-17(12-22(25)31-21(20)11-15)14-30-23(26)16-5-7-19(8-6-16)32(27,28)24-13-18-3-2-10-29-18/h2-12,24H,13-14H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
(7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 453.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2472637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).