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

C15H11FN2O2S — CID 118382430

IUPAC5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C15H11FN2O2S/c16-11-2-3-12-13(8-17-14(12)6-11)9-1-4-15-10(5-9)7-18-21(15,19)20/h1-6,8,17-18H,7H2
InChIKeyZIDJZGWEBGJVCI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.77
Rot. Bonds1

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

5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 118382430) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID118382430
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C15H11FN2O2S/c16-11-2-3-12-13(8-17-14(12)6-11)9-1-4-15-10(5-9)7-18-21(15,19)20/h1-6,8,17-18H,7H2
InChIKeyZIDJZGWEBGJVCI-UHFFFAOYSA-N
XLogP2.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide 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 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 118382430) is 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is O=S1(=O)NCc2cc(-c3c[nH]c4cc(F)ccc34)ccc21.
What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is ZIDJZGWEBGJVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-2-3-12-13(8-17-14(12)6-11)9-1-4-15-10(5-9)7-18-21(15,19)20/h1-6,8,17-18H,7H2.
What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 302.33 g/mol, XLogP of 2.77, 1 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)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 118382430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).