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

C18H13N3O4S2 — CID 2678334

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H13N3O4S2/c22-17(16-11-12-3-1-2-4-15(12)25-16)20-13-5-7-14(8-6-13)27(23,24)21-18-19-9-10-26-18/h1-11H,(H,19,21)(H,20,22)
InChIKeyTXURKQANVVELKH-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.94
Rot. Bonds5

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

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2678334) has the molecular formula C18H13N3O4S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2678334
Molecular FormulaC18H13N3O4S2
Molecular Weight399.45 g/mol
Exact Mass399.03
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H13N3O4S2/c22-17(16-11-12-3-1-2-4-15(12)25-16)20-13-5-7-14(8-6-13)27(23,24)21-18-19-9-10-26-18/h1-11H,(H,19,21)(H,20,22)
InChIKeyTXURKQANVVELKH-UHFFFAOYSA-N
XLogP3.94
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 2678334) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is TXURKQANVVELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S2/c22-17(16-11-12-3-1-2-4-15(12)25-16)20-13-5-7-14(8-6-13)27(23,24)21-18-19-9-10-26-18/h1-11H,(H,19,21)(H,20,22).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2678334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).