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

C18H17NO4S — CID 142769907

IUPAC4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
SMILESCC1(C)OC(c2ccccc2)=C(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C18H17NO4S/c1-18(2)17(20)15(16(23-18)13-6-4-3-5-7-13)12-8-10-14(11-9-12)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
InChIKeyHKNUMQXLNJHAOM-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.58
Rot. Bonds3

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

4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide (PubChem CID 142769907) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
PubChem CID142769907
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide
SMILESCC1(C)OC(c2ccccc2)=C(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C18H17NO4S/c1-18(2)17(20)15(16(23-18)13-6-4-3-5-7-13)12-8-10-14(11-9-12)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
InChIKeyHKNUMQXLNJHAOM-UHFFFAOYSA-N
XLogP2.58
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-chlorophenyl)-5,5-dimethyl-4-oxofuran-3-yl]benzenesulfonamide
CID 142769920
4-[3-(3-aminophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386118
4-[3-(furan-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 11163395
4-[3-(3-fluorofuran-2-yl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18385915
2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylfuran-3-one
CID 18386162
4-(4-ethylsulfonylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385593
4-[4-(3-fluorophenyl)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386002
5-(3-chlorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)furan-3-one
CID 142769918
4-(3,4-dimethylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386117
4-(3-methoxyphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11314765
2-chloro-4-[3-(3-chlorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386126
4-(furan-2-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 11739063

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide (CID 142769907) is 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide is CC1(C)OC(c2ccccc2)=C(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide?
The InChIKey is HKNUMQXLNJHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-18(2)17(20)15(16(23-18)13-6-4-3-5-7-13)12-8-10-14(11-9-12)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22).
What are the key properties of 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide?
4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-2-phenylfuran-3-yl)benzenesulfonamide is sourced from PubChem (CID 142769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).