4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide

C₁₉H₁₈BrFN₂O₂S — CID 155513219

About 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide

4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide (PubChem CID 155513219) has the molecular formula C₁₉H₁₈BrFN₂O₂S and a molecular weight of 437.33 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
• PubChem CID: 155513219
• Molecular Formula: C₁₉H₁₈BrFN₂O₂S
• Molecular Weight: 437.33 g/mol
• Exact Mass: 436.03
• IUPAC Name: 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
• SMILES: C=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1F
• InChI: InChI=1S/C19H18BrFN2O2S/c1-2-5-15(10-13-12-22-18-7-4-3-6-16(13)18)23-26(24,25)19-9-8-14(20)11-17(19)21/h2-4,6-9,11-12,15,22-23H,1,5,10H2/t15-/m0/s1
• InChIKey: QVURYQJAVKZANJ-HNNXBMFYSA-N
• XLogP: 4.54
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.33
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide?

The IUPAC name of 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide (CID 155513219) is 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide?

The canonical SMILES for 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide is C=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1F.

What is the InChIKey of 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide?

The InChIKey is QVURYQJAVKZANJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2S/c1-2-5-15(10-13-12-22-18-7-4-3-6-16(13)18)23-26(24,25)19-9-8-14(20)11-17(19)21/h2-4,6-9,11-12,15,22-23H,1,5,10H2/t15-/m0/s1.

What are the key properties of 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide?

4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide has a molecular weight of 437.33 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 155513219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155513219 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.