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

C19H18BrFN2O2S — CID 155513219

IUPAC4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
SMILESC=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=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
InChIKeyQVURYQJAVKZANJ-HNNXBMFYSA-N
MW437.33 g/mol
LogP4.54
Rot. Bonds7

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 Name4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
PubChem CID155513219
Molecular FormulaC19H18BrFN2O2S
Molecular Weight437.33 g/mol
Exact Mass436.03
IUPAC Name4-bromo-2-fluoro-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
SMILESC=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=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
InChIKeyQVURYQJAVKZANJ-HNNXBMFYSA-N
XLogP4.54
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).