4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide

C19H17FN2O3S — CID 162651917

IUPAC4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17FN2O3S/c1-2-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)26(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyNBRXCXNKEJKAEM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.52
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide

4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide (PubChem CID 162651917) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide
PubChem CID162651917
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17FN2O3S/c1-2-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)26(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyNBRXCXNKEJKAEM-UHFFFAOYSA-N
XLogP3.52
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-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-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide (CID 162651917) is 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is NBRXCXNKEJKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-2-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)26(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25).
What are the key properties of 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide?
4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 372.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 162651917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).