4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

C16H15NO5S — CID 11163395

IUPAC4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccco2)C1=O
InChIInChI=1S/C16H15NO5S/c1-16(2)15(18)13(12-4-3-9-21-12)14(22-16)10-5-7-11(8-6-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyYCFUZEFTLBDSHJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.17
Rot. Bonds3

About 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide

4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide (PubChem CID 11163395) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
PubChem CID11163395
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
SMILESCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccco2)C1=O
InChIInChI=1S/C16H15NO5S/c1-16(2)15(18)13(12-4-3-9-21-12)14(22-16)10-5-7-11(8-6-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyYCFUZEFTLBDSHJ-UHFFFAOYSA-N
XLogP2.17
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide (CID 11163395) is 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide is CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccco2)C1=O.
What is the InChIKey of 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
The InChIKey is YCFUZEFTLBDSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-16(2)15(18)13(12-4-3-9-21-12)14(22-16)10-5-7-11(8-6-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20).
What are the key properties of 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide?
4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 11163395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).