3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide

C18H13NO4S2 — CID 127034693

IUPAC3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C18H13NO4S2/c19-25(21,22)14-3-1-2-11(9-14)16-6-7-17(24-16)12-4-5-15-13(8-12)10-23-18(15)20/h1-9H,10H2,(H2,19,21,22)
InChIKeyHOOLISIVKMHSHY-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.40
Rot. Bonds3

About 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide

3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide (PubChem CID 127034693) has the molecular formula C18H13NO4S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide
PubChem CID127034693
Molecular FormulaC18H13NO4S2
Molecular Weight371.44 g/mol
Exact Mass371.03
IUPAC Name3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1
InChIInChI=1S/C18H13NO4S2/c19-25(21,22)14-3-1-2-11(9-14)16-6-7-17(24-16)12-4-5-15-13(8-12)10-23-18(15)20/h1-9H,10H2,(H2,19,21,22)
InChIKeyHOOLISIVKMHSHY-UHFFFAOYSA-N
XLogP3.40
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide (CID 127034693) is 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1.
What is the InChIKey of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide?
The InChIKey is HOOLISIVKMHSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S2/c19-25(21,22)14-3-1-2-11(9-14)16-6-7-17(24-16)12-4-5-15-13(8-12)10-23-18(15)20/h1-9H,10H2,(H2,19,21,22).
What are the key properties of 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide?
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzenesulfonamide is sourced from PubChem (CID 127034693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).