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'}

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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).