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

C20H22N2O7S2 — CID 30713320

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C20H22N2O7S2/c1-4-22(5-2)31(26,27)16-8-10-19(28-3)17(13-16)21-30(24,25)15-7-9-18-14(12-15)6-11-20(23)29-18/h6-13,21H,4-5H2,1-3H3
InChIKeyDYJCMAYBEFNJDB-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.63
Rot. Bonds8

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

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide (PubChem CID 30713320) has the molecular formula C20H22N2O7S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide
PubChem CID30713320
Molecular FormulaC20H22N2O7S2
Molecular Weight466.54 g/mol
Exact Mass466.09
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C20H22N2O7S2/c1-4-22(5-2)31(26,27)16-8-10-19(28-3)17(13-16)21-30(24,25)15-7-9-18-14(12-15)6-11-20(23)29-18/h6-13,21H,4-5H2,1-3H3
InChIKeyDYJCMAYBEFNJDB-UHFFFAOYSA-N
XLogP2.63
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.63
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 N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide (CID 30713320) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is DYJCMAYBEFNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S2/c1-4-22(5-2)31(26,27)16-8-10-19(28-3)17(13-16)21-30(24,25)15-7-9-18-14(12-15)6-11-20(23)29-18/h6-13,21H,4-5H2,1-3H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 466.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30713320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).