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

C18H17FN2O2S — CID 122529397

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

5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 122529397) 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-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

• Compound Name: 5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
• PubChem CID: 122529397
• Molecular Formula: C18H17FN2O2S
• Molecular Weight: 344.41 g/mol
• Exact Mass: 344.10
• IUPAC Name: 5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
• SMILES: CCCC1NS(=O)(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc21
• InChI: InChI=1S/C18H17FN2O2S/c1-2-3-16-14-8-11(4-7-18(14)24(22,23)21-16)15-10-20-17-9-12(19)5-6-13(15)17/h4-10,16,20-21H,2-3H2,1H3
• InChIKey: VVVMDJMOERMJPW-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.41
LogP ≤ 5	4.11
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-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?

The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 122529397) is 5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

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

The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is CCCC1NS(=O)(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc21.

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

The InChIKey is VVVMDJMOERMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-2-3-16-14-8-11(4-7-18(14)24(22,23)21-16)15-10-20-17-9-12(19)5-6-13(15)17/h4-10,16,20-21H,2-3H2,1H3.

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

5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 344.41 g/mol, XLogP of 4.11, 3 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-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 122529397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).