N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide

C21H24N2O7S2 — CID 30713644

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C21H24N2O7S2/c1-4-23(5-2)32(27,28)17-9-11-20(29-6-3)18(14-17)22-31(25,26)16-8-10-19-15(13-16)7-12-21(24)30-19/h7-14,22H,4-6H2,1-3H3
InChIKeyVONBJIBBMZJWSK-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.02
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide (PubChem CID 30713644) has the molecular formula C21H24N2O7S2 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide
PubChem CID30713644
Molecular FormulaC21H24N2O7S2
Molecular Weight480.56 g/mol
Exact Mass480.10
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C21H24N2O7S2/c1-4-23(5-2)32(27,28)17-9-11-20(29-6-3)18(14-17)22-31(25,26)16-8-10-19-15(13-16)7-12-21(24)30-19/h7-14,22H,4-6H2,1-3H3
InChIKeyVONBJIBBMZJWSK-UHFFFAOYSA-N
XLogP3.02
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide (CID 30713644) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is VONBJIBBMZJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S2/c1-4-23(5-2)32(27,28)17-9-11-20(29-6-3)18(14-17)22-31(25,26)16-8-10-19-15(13-16)7-12-21(24)30-19/h7-14,22H,4-6H2,1-3H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 480.56 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30713644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).