4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

C12H12N2O3S — CID 794729

IUPAC4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C12H12N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h2-8H,1H3,(H2,13,15,16)/b14-8+
InChIKeyRDLCSBAREOBJDI-RIYZIHGNSA-N
MW264.31 g/mol
LogP1.99
Rot. Bonds3

About 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 794729) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID794729
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C12H12N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h2-8H,1H3,(H2,13,15,16)/b14-8+
InChIKeyRDLCSBAREOBJDI-RIYZIHGNSA-N
XLogP1.99
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(5-methylfuran-2-yl)methylideneamino]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

N-[4-({(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}sulfonyl)phenyl]acetamide
CID 9655953
3-Fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide
CID 118716953
4-[[5-[(4-Sulfamoylphenyl)iminomethyl]furan-2-yl]methylideneamino]benzenesulfonamide
CID 137635059
3-[[5-[(3-Sulfamoylphenyl)iminomethyl]furan-2-yl]methylideneamino]benzenesulfonamide
CID 137637508
4-nitro-N'-[(5-methyl-2-furyl)methylene]benzenesulfonohydrazide
CID 6875113
N-[(E)-2-furylmethyleneamino]-4-nitro-benzenesulfonamide
CID 5337685
N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine
CID 794165
N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide
CID 2796419
Benzenesulfonamide, 4-(2-furanylmethyleneamino)-
CID 619508
(E)-1-(5-Methylfuran-2-yl)-N-phenylmethanimine
CID 12516660
N-(4-(((2E)-2-(2-Furylmethylene)hydrazino)sulfonyl)phenyl)acetamide
CID 5337688
4-Amino-N'-(2-furylmethylene)benzenesulfonohydrazide
CID 9561088

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (CID 794729) is 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is RDLCSBAREOBJDI-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-9-2-5-11(17-9)8-14-10-3-6-12(7-4-10)18(13,15)16/h2-8H,1H3,(H2,13,15,16)/b14-8+.
What are the key properties of 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 794729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).