N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide

C12H9NO4S2 — CID 713179

IUPACN-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide
SMILESO=C1OCc2cc(NS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C12H9NO4S2/c14-12-10-4-3-9(6-8(10)7-17-12)13-19(15,16)11-2-1-5-18-11/h1-6,13H,7H2
InChIKeyVKHFCSUJWZRISS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

About N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide

N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide (PubChem CID 713179) has the molecular formula C12H9NO4S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide
PubChem CID713179
Molecular FormulaC12H9NO4S2
Molecular Weight295.34 g/mol
Exact Mass295.00
IUPAC NameN-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide
SMILESO=C1OCc2cc(NS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C12H9NO4S2/c14-12-10-4-3-9(6-8(10)7-17-12)13-19(15,16)11-2-1-5-18-11/h1-6,13H,7H2
InChIKeyVKHFCSUJWZRISS-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide (CID 713179) is N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide is O=C1OCc2cc(NS(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide?
The InChIKey is VKHFCSUJWZRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S2/c14-12-10-4-3-9(6-8(10)7-17-12)13-19(15,16)11-2-1-5-18-11/h1-6,13H,7H2.
What are the key properties of N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide?
N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3H-2-benzofuran-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).