1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide

C19H13N3O5S2 — CID 4013727

IUPAC1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C19H13N3O5S2/c23-17(16-11-12-3-1-2-4-15(12)18(24)27-16)21-13-5-7-14(8-6-13)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,23)
InChIKeyLLAYOHLUUVFDHG-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.30
Rot. Bonds5

About 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide

1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide (PubChem CID 4013727) has the molecular formula C19H13N3O5S2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide
PubChem CID4013727
Molecular FormulaC19H13N3O5S2
Molecular Weight427.46 g/mol
Exact Mass427.03
IUPAC Name1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C19H13N3O5S2/c23-17(16-11-12-3-1-2-4-15(12)18(24)27-16)21-13-5-7-14(8-6-13)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,23)
InChIKeyLLAYOHLUUVFDHG-UHFFFAOYSA-N
XLogP3.30
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide?
The IUPAC name of 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide (CID 4013727) is 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide?
The canonical SMILES for 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2c(=O)o1.
What is the InChIKey of 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide?
The InChIKey is LLAYOHLUUVFDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5S2/c23-17(16-11-12-3-1-2-4-15(12)18(24)27-16)21-13-5-7-14(8-6-13)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,23).
What are the key properties of 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide?
1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]isochromene-3-carboxamide is sourced from PubChem (CID 4013727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).