4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide

C15H16N2O4S — CID 86924126

IUPAC4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCc3occc32)cc1
InChIInChI=1S/C15H16N2O4S/c16-15(18)10-4-6-11(7-5-10)22(19,20)17-13-2-1-3-14-12(13)8-9-21-14/h4-9,13,17H,1-3H2,(H2,16,18)
InChIKeyHVIWZPJCDXVSOX-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.73
Rot. Bonds4

About 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide (PubChem CID 86924126) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide
PubChem CID86924126
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCc3occc32)cc1
InChIInChI=1S/C15H16N2O4S/c16-15(18)10-4-6-11(7-5-10)22(19,20)17-13-2-1-3-14-12(13)8-9-21-14/h4-9,13,17H,1-3H2,(H2,16,18)
InChIKeyHVIWZPJCDXVSOX-UHFFFAOYSA-N
XLogP1.73
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide (CID 86924126) is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)NC2CCCc3occc32)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide?
The InChIKey is HVIWZPJCDXVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-15(18)10-4-6-11(7-5-10)22(19,20)17-13-2-1-3-14-12(13)8-9-21-14/h4-9,13,17H,1-3H2,(H2,16,18).
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide?
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide has a molecular weight of 320.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 86924126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).