4-(1,3-thiazol-2-ylsulfonyl)aniline

C9H8N2O2S2 — CID 10633802

IUPAC4-(1,3-thiazol-2-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C9H8N2O2S2/c10-7-1-3-8(4-2-7)15(12,13)9-11-5-6-14-9/h1-6H,10H2
InChIKeyZMLMBLYLMRDXOJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.56
Rot. Bonds2

About 4-(1,3-thiazol-2-ylsulfonyl)aniline

4-(1,3-thiazol-2-ylsulfonyl)aniline (PubChem CID 10633802) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylsulfonyl)aniline
PubChem CID10633802
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name4-(1,3-thiazol-2-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C9H8N2O2S2/c10-7-1-3-8(4-2-7)15(12,13)9-11-5-6-14-9/h1-6H,10H2
InChIKeyZMLMBLYLMRDXOJ-UHFFFAOYSA-N
XLogP1.56
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-thiazol-2-ylsulfonyl)aniline 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-(1,3-thiazol-2-ylsulfonyl)aniline?
The IUPAC name of 4-(1,3-thiazol-2-ylsulfonyl)aniline (CID 10633802) is 4-(1,3-thiazol-2-ylsulfonyl)aniline.
What is the SMILES notation for 4-(1,3-thiazol-2-ylsulfonyl)aniline?
The canonical SMILES for 4-(1,3-thiazol-2-ylsulfonyl)aniline is Nc1ccc(S(=O)(=O)c2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-ylsulfonyl)aniline?
The InChIKey is ZMLMBLYLMRDXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c10-7-1-3-8(4-2-7)15(12,13)9-11-5-6-14-9/h1-6H,10H2.
What are the key properties of 4-(1,3-thiazol-2-ylsulfonyl)aniline?
4-(1,3-thiazol-2-ylsulfonyl)aniline has a molecular weight of 240.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylsulfonyl)aniline is sourced from PubChem (CID 10633802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).