4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide

C11H11N3O2S — CID 619219

IUPAC4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3O2S/c12-17(15,16)11-5-3-9(4-6-11)14-8-10-2-1-7-13-10/h1-8,13H,(H2,12,15,16)/b14-8+
InChIKeyRVWRCAGVSNVGKQ-RIYZIHGNSA-N
MW249.30 g/mol
LogP1.41
Rot. Bonds3

About 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide

4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 619219) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide
PubChem CID619219
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3O2S/c12-17(15,16)11-5-3-9(4-6-11)14-8-10-2-1-7-13-10/h1-8,13H,(H2,12,15,16)/b14-8+
InChIKeyRVWRCAGVSNVGKQ-RIYZIHGNSA-N
XLogP1.41
TPSA88.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-pyrrol-2-ylmethylideneamino)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-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide (CID 619219) is 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc[nH]2)cc1.
What is the InChIKey of 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is RVWRCAGVSNVGKQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-17(15,16)11-5-3-9(4-6-11)14-8-10-2-1-7-13-10/h1-8,13H,(H2,12,15,16)/b14-8+.
What are the key properties of 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide?
4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 619219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).