4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide

C16H15NO4S2 — CID 11187179

IUPAC4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccsc2)C1=O
InChIInChI=1S/C16H15NO4S2/c1-16(2)15(18)13(11-7-8-22-9-11)14(21-16)10-3-5-12(6-4-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyLZYMCEULHHQVRJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.64
Rot. Bonds3

About 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide

4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide (PubChem CID 11187179) has the molecular formula C16H15NO4S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide
PubChem CID11187179
Molecular FormulaC16H15NO4S2
Molecular Weight349.43 g/mol
Exact Mass349.04
IUPAC Name4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccsc2)C1=O
InChIInChI=1S/C16H15NO4S2/c1-16(2)15(18)13(11-7-8-22-9-11)14(21-16)10-3-5-12(6-4-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyLZYMCEULHHQVRJ-UHFFFAOYSA-N
XLogP2.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide (CID 11187179) is 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide is CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccsc2)C1=O.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide?
The InChIKey is LZYMCEULHHQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S2/c1-16(2)15(18)13(11-7-8-22-9-11)14(21-16)10-3-5-12(6-4-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20).
What are the key properties of 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide?
4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-3-thiophen-3-ylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 11187179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).