N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide

C19H20N2O6S2 — CID 30713167

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C19H20N2O6S2/c1-3-21(4-2)29(25,26)16-8-6-15(7-9-16)20-28(23,24)17-10-11-18-14(13-17)5-12-19(22)27-18/h5-13,20H,3-4H2,1-2H3
InChIKeyVVKHDXDCAGAIOH-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.62
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide

N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide (PubChem CID 30713167) has the molecular formula C19H20N2O6S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide
PubChem CID30713167
Molecular FormulaC19H20N2O6S2
Molecular Weight436.51 g/mol
Exact Mass436.08
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C19H20N2O6S2/c1-3-21(4-2)29(25,26)16-8-6-15(7-9-16)20-28(23,24)17-10-11-18-14(13-17)5-12-19(22)27-18/h5-13,20H,3-4H2,1-2H3
InChIKeyVVKHDXDCAGAIOH-UHFFFAOYSA-N
XLogP2.62
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide (CID 30713167) is N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is VVKHDXDCAGAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S2/c1-3-21(4-2)29(25,26)16-8-6-15(7-9-16)20-28(23,24)17-10-11-18-14(13-17)5-12-19(22)27-18/h5-13,20H,3-4H2,1-2H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 436.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30713167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).