(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide

C12H11NO2S2 — CID 135072516

IUPAC(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide
SMILESCc1ccc(/C=N/S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H11NO2S2/c1-10-4-6-11(7-5-10)9-13-17(14,15)12-3-2-8-16-12/h2-9H,1H3/b13-9+
InChIKeyKWUHOUUYLSVVII-UKTHLTGXSA-N
MW265.36 g/mol
LogP2.86
Rot. Bonds3

About (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide

(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 135072516) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID135072516
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide
SMILESCc1ccc(/C=N/S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H11NO2S2/c1-10-4-6-11(7-5-10)9-13-17(14,15)12-3-2-8-16-12/h2-9H,1H3/b13-9+
InChIKeyKWUHOUUYLSVVII-UKTHLTGXSA-N
XLogP2.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide 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 (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide (CID 135072516) is (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide is Cc1ccc(/C=N/S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is KWUHOUUYLSVVII-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-10-4-6-11(7-5-10)9-13-17(14,15)12-3-2-8-16-12/h2-9H,1H3/b13-9+.
What are the key properties of (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide?
(NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 265.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 135072516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).