4-(2-formylpyrrol-1-yl)benzenesulfonamide

C11H10N2O3S — CID 739179

IUPAC4-(2-formylpyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2C=O)cc1
InChIInChI=1S/C11H10N2O3S/c12-17(15,16)11-5-3-9(4-6-11)13-7-1-2-10(13)8-14/h1-8H,(H2,12,15,16)
InChIKeyGLIUQFSIKLMRCN-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-formylpyrrol-1-yl)benzenesulfonamide

4-(2-formylpyrrol-1-yl)benzenesulfonamide (PubChem CID 739179) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(2-formylpyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-formylpyrrol-1-yl)benzenesulfonamide
PubChem CID739179
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(2-formylpyrrol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2C=O)cc1
InChIInChI=1S/C11H10N2O3S/c12-17(15,16)11-5-3-9(4-6-11)13-7-1-2-10(13)8-14/h1-8H,(H2,12,15,16)
InChIKeyGLIUQFSIKLMRCN-UHFFFAOYSA-N
XLogP0.94
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-formylpyrrol-1-yl)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-(2-formylpyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2-formylpyrrol-1-yl)benzenesulfonamide (CID 739179) is 4-(2-formylpyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-formylpyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-formylpyrrol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cccc2C=O)cc1.
What is the InChIKey of 4-(2-formylpyrrol-1-yl)benzenesulfonamide?
The InChIKey is GLIUQFSIKLMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-17(15,16)11-5-3-9(4-6-11)13-7-1-2-10(13)8-14/h1-8H,(H2,12,15,16).
What are the key properties of 4-(2-formylpyrrol-1-yl)benzenesulfonamide?
4-(2-formylpyrrol-1-yl)benzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylpyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 739179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).