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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Related Compounds

4-(5-Formylfuran-2-yl)benzene-1-sulfonamide
CID 670478
Furan-3-yl(4-(methylsulfonyl)phenyl)methanone
CID 46939837
2-(p-Methylsulfonylbenzoyl)furan
CID 12701751
4-(4-Methoxybenzoyl)-2-furansulfonamide
CID 14639078
4-(5-Formylfuran-2-yl)benzenesulfonic acid
CID 381102
4-[5-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 1154580
(E)-4-(2-(furan-2-yl)vinyl)benzenesulfonamide
CID 52946892
2,2-dimethyl-4-(2-furanyl)-5-{4-(methylsulfonyl)phenyl}-3(2H)-furanone
CID 11739063
4-(2-Furanyl)benzenesulfonamide
CID 18461612
3-(5-Formyl-2-furyl)benzenesulfonamide
CID 721835
4-(5-formylfuran-2-yl)-N-methylbenzene-1-sulfonamide
CID 16227211
[2-(Furan-2-yl)-2-oxoethyl] 4-methylbenzenesulfonate
CID 11129678

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).