N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide

C12H11NO3S — CID 879063

IUPACN-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccco2)cc1
InChIInChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3
InChIKeyRMCOBAQWBKLPTB-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.40
Rot. Bonds3

About N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide

N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide (PubChem CID 879063) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide
PubChem CID879063
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC NameN-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccco2)cc1
InChIInChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3
InChIKeyRMCOBAQWBKLPTB-UHFFFAOYSA-N
XLogP2.40
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide (CID 879063) is N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide?
The InChIKey is RMCOBAQWBKLPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3.
What are the key properties of N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide?
N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide has a molecular weight of 249.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 879063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).