4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

C13H14N2O2S2 — CID 5341223

IUPAC4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C13H14N2O2S2/c1-10-3-5-12(6-4-10)19(16,17)15-14-9-13-11(2)7-8-18-13/h3-9,15H,1-2H3/b14-9+
InChIKeyFUVOTSZEERTOGV-NTEUORMPSA-N
MW294.40 g/mol
LogP2.68
Rot. Bonds4

About 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 5341223) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID5341223
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C13H14N2O2S2/c1-10-3-5-12(6-4-10)19(16,17)15-14-9-13-11(2)7-8-18-13/h3-9,15H,1-2H3/b14-9+
InChIKeyFUVOTSZEERTOGV-NTEUORMPSA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(E)-(3-methylthiophen-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide (CID 5341223) is 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is FUVOTSZEERTOGV-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-10-3-5-12(6-4-10)19(16,17)15-14-9-13-11(2)7-8-18-13/h3-9,15H,1-2H3/b14-9+.
What are the key properties of 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 294.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5341223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).