1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole

C12H10BrNO2S2 — CID 843670

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C12H10BrNO2S2/c13-11-5-6-12(17-11)18(15,16)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2
InChIKeyORLCLWHNNQXDNE-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole

1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole (PubChem CID 843670) has the molecular formula C12H10BrNO2S2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole
PubChem CID843670
Molecular FormulaC12H10BrNO2S2
Molecular Weight344.26 g/mol
Exact Mass342.93
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C12H10BrNO2S2/c13-11-5-6-12(17-11)18(15,16)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2
InChIKeyORLCLWHNNQXDNE-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole (CID 843670) is 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(Br)s1)N1CCc2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is ORLCLWHNNQXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S2/c13-11-5-6-12(17-11)18(15,16)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole?
1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 344.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 843670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).