N-(4-pyrrol-1-ylphenyl)benzenesulfonamide

C16H14N2O2S — CID 2768245

IUPACN-(4-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-21(20,16-6-2-1-3-7-16)17-14-8-10-15(11-9-14)18-12-4-5-13-18/h1-13,17H
InChIKeyIABDSRXJQSRVOA-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.28
Rot. Bonds4

About N-(4-pyrrol-1-ylphenyl)benzenesulfonamide

N-(4-pyrrol-1-ylphenyl)benzenesulfonamide (PubChem CID 2768245) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-pyrrol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-pyrrol-1-ylphenyl)benzenesulfonamide
PubChem CID2768245
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-21(20,16-6-2-1-3-7-16)17-14-8-10-15(11-9-14)18-12-4-5-13-18/h1-13,17H
InChIKeyIABDSRXJQSRVOA-UHFFFAOYSA-N
XLogP3.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-pyrrol-1-ylphenyl)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 N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-pyrrol-1-ylphenyl)benzenesulfonamide (CID 2768245) is N-(4-pyrrol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-pyrrol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccccc1.
What is the InChIKey of N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The InChIKey is IABDSRXJQSRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-21(20,16-6-2-1-3-7-16)17-14-8-10-15(11-9-14)18-12-4-5-13-18/h1-13,17H.
What are the key properties of N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
N-(4-pyrrol-1-ylphenyl)benzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2768245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).