1-thiophen-2-ylsulfonyl-2,3-dihydroindole

C12H11NO2S2 — CID 654187

IUPAC1-thiophen-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C12H11NO2S2/c14-17(15,12-6-3-9-16-12)13-8-7-10-4-1-2-5-11(10)13/h1-6,9H,7-8H2
InChIKeyVKWXAKYBRFHZQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.50
Rot. Bonds2

About 1-thiophen-2-ylsulfonyl-2,3-dihydroindole

1-thiophen-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 654187) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-2,3-dihydroindole
PubChem CID654187
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name1-thiophen-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C12H11NO2S2/c14-17(15,12-6-3-9-16-12)13-8-7-10-4-1-2-5-11(10)13/h1-6,9H,7-8H2
InChIKeyVKWXAKYBRFHZQC-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfonyl)indoline
CID 668757
N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 2474125
7-Fluoro-2-methyl-1-(2-thienylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2942513
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390
2-Methyl-1-{[4-(methylthio)phenyl]sulfonyl}indoline
CID 2944511
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
1-{3-[(5-Bromothien-2-yl)sulfonyl]propanoyl}indoline
CID 3238964
1-(Thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2051438
N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-thiophenesulfonamide
CID 1277401
2-Methyl-1-(2-thienylsulfonyl)indoline
CID 2943362
2-Methyl-1-[3-(thien-2-ylsulfonyl)propanoyl]indoline
CID 3237981

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-thiophen-2-ylsulfonyl-2,3-dihydroindole (CID 654187) is 1-thiophen-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-2,3-dihydroindole is O=S(=O)(c1cccs1)N1CCc2ccccc21.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is VKWXAKYBRFHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c14-17(15,12-6-3-9-16-12)13-8-7-10-4-1-2-5-11(10)13/h1-6,9H,7-8H2.
What are the key properties of 1-thiophen-2-ylsulfonyl-2,3-dihydroindole?
1-thiophen-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 265.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 654187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).