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

C22H26N2O7S2 — CID 30713612

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C22H26N2O7S2/c1-5-24(6-2)33(28,29)18-9-11-21(30-15(3)4)19(14-18)23-32(26,27)17-8-10-20-16(13-17)7-12-22(25)31-20/h7-15,23H,5-6H2,1-4H3
InChIKeyOPBSIEZHLDXIEA-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.41
Rot. Bonds9

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

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide (PubChem CID 30713612) has the molecular formula C22H26N2O7S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide
PubChem CID30713612
Molecular FormulaC22H26N2O7S2
Molecular Weight494.59 g/mol
Exact Mass494.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1
InChIInChI=1S/C22H26N2O7S2/c1-5-24(6-2)33(28,29)18-9-11-21(30-15(3)4)19(14-18)23-32(26,27)17-8-10-20-16(13-17)7-12-22(25)31-20/h7-15,23H,5-6H2,1-4H3
InChIKeyOPBSIEZHLDXIEA-UHFFFAOYSA-N
XLogP3.41
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.41
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-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide (CID 30713612) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is OPBSIEZHLDXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S2/c1-5-24(6-2)33(28,29)18-9-11-21(30-15(3)4)19(14-18)23-32(26,27)17-8-10-20-16(13-17)7-12-22(25)31-20/h7-15,23H,5-6H2,1-4H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 494.59 g/mol, XLogP of 3.41, 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-propan-2-yloxyphenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 30713612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).