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

C15H11FN2O2S — CID 118400716

IUPAC6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2ccc(-c3c[nH]c4cc(F)ccc34)cc21
InChIInChI=1S/C15H11FN2O2S/c16-11-3-4-12-13(8-17-14(12)6-11)9-1-2-10-7-18-21(19,20)15(10)5-9/h1-6,8,17-18H,7H2
InChIKeyGSUQGKQCYSDYGG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.77
Rot. Bonds1

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

6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 118400716) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID118400716
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2ccc(-c3c[nH]c4cc(F)ccc34)cc21
InChIInChI=1S/C15H11FN2O2S/c16-11-3-4-12-13(8-17-14(12)6-11)9-1-2-10-7-18-21(19,20)15(10)5-9/h1-6,8,17-18H,7H2
InChIKeyGSUQGKQCYSDYGG-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 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide with MolForge

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Related Compounds

5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118382430
5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529278
5-(6-fluoro-1H-indol-3-yl)-3-propyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529397
3-[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-3H-1,2-benzothiazol-2-yl]propane-1,2-diol
CID 122529463
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
N-[[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methyl]methanesulfonamide
CID 122529265
2-[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]ethyl acetate
CID 122529447
4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
CID 145257869
6-(6-fluoro-1H-indol-3-yl)-3H-furo[3,2-b]pyridin-2-one
CID 160959371
ethyl 3-[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-3H-1,2-benzothiazol-2-yl]propanoate
CID 122529510
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 118400716) is 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is O=S1(=O)NCc2ccc(-c3c[nH]c4cc(F)ccc34)cc21.
What is the InChIKey of 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is GSUQGKQCYSDYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-3-4-12-13(8-17-14(12)6-11)9-1-2-10-7-18-21(19,20)15(10)5-9/h1-6,8,17-18H,7H2.
What are the key properties of 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
6-(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 6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 118400716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).