5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C18H17FN2O2S — CID 122529278

About 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide

5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 122529278) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

• Compound Name: 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
• PubChem CID: 122529278
• Molecular Formula: C18H17FN2O2S
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.10
• IUPAC Name: 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
• SMILES: CC(C)C1NS(=O)(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc21
• InChI: InChI=1S/C18H17FN2O2S/c1-10(2)18-14-7-11(3-6-17(14)24(22,23)21-18)15-9-20-16-8-12(19)4-5-13(15)16/h3-10,18,20-21H,1-2H3
• InChIKey: RMVZJAAFRKPMCT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?

The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 122529278) is 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?

The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is CC(C)C1NS(=O)(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc21.

What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?

The InChIKey is RMVZJAAFRKPMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-10(2)18-14-7-11(3-6-17(14)24(22,23)21-18)15-9-20-16-8-12(19)4-5-13(15)16/h3-10,18,20-21H,1-2H3.

What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?

5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 344.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 122529278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).