4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole

C13H12FNO2S2 — CID 23543507

IUPAC4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(F)cccc32)s1
InChIInChI=1S/C13H12FNO2S2/c1-9-5-6-13(18-9)19(16,17)15-8-7-10-11(14)3-2-4-12(10)15/h2-6H,7-8H2,1H3
InChIKeyYTILFGVNHUPTOU-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.95
Rot. Bonds2

About 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole

4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole (PubChem CID 23543507) has the molecular formula C13H12FNO2S2 and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole
PubChem CID23543507
Molecular FormulaC13H12FNO2S2
Molecular Weight297.38 g/mol
Exact Mass297.03
IUPAC Name4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(F)cccc32)s1
InChIInChI=1S/C13H12FNO2S2/c1-9-5-6-13(18-9)19(16,17)15-8-7-10-11(14)3-2-4-12(10)15/h2-6H,7-8H2,1H3
InChIKeyYTILFGVNHUPTOU-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole (CID 23543507) is 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2CCc3c(F)cccc32)s1.
What is the InChIKey of 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is YTILFGVNHUPTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S2/c1-9-5-6-13(18-9)19(16,17)15-8-7-10-11(14)3-2-4-12(10)15/h2-6H,7-8H2,1H3.
What are the key properties of 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole?
4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 297.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 23543507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).