1-methyl-2-thiophen-2-ylsulfonylindole

C13H11NO2S2 — CID 155551545

IUPAC1-methyl-2-thiophen-2-ylsulfonylindole
SMILESCn1c(S(=O)(=O)c2cccs2)cc2ccccc21
InChIInChI=1S/C13H11NO2S2/c1-14-11-6-3-2-5-10(11)9-12(14)18(15,16)13-7-4-8-17-13/h2-9H,1H3
InChIKeyOVSXKFMBYMXYBF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.07
Rot. Bonds2

About 1-methyl-2-thiophen-2-ylsulfonylindole

1-methyl-2-thiophen-2-ylsulfonylindole (PubChem CID 155551545) has the molecular formula C13H11NO2S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-methyl-2-thiophen-2-ylsulfonylindole.

Molecular Properties

Compound Name1-methyl-2-thiophen-2-ylsulfonylindole
PubChem CID155551545
Molecular FormulaC13H11NO2S2
Molecular Weight277.37 g/mol
Exact Mass277.02
IUPAC Name1-methyl-2-thiophen-2-ylsulfonylindole
SMILESCn1c(S(=O)(=O)c2cccs2)cc2ccccc21
InChIInChI=1S/C13H11NO2S2/c1-14-11-6-3-2-5-10(11)9-12(14)18(15,16)13-7-4-8-17-13/h2-9H,1H3
InChIKeyOVSXKFMBYMXYBF-UHFFFAOYSA-N
XLogP3.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
CID 41464
4-(1,3-Benzothiazol-2-yl)thiophene-2-sulfonamide
CID 11687981
3-(2,6-Dimethyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
CID 2827568
benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
CID 103345
Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
CID 9548439
3-Methyl-2-{[(4-methylphenyl)sulfonyl]methyl}-1,3-benzothiazol-3-ium methyl sulfate
CID 2840963
4-(2,5-dimethylbenzothiazol-3-yl)butane-2-sulfonic Acid
CID 2841565
3-{5-methyl-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
CID 5749511
1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-
CID 686828
4-(6-Methyl-benzothiazol-2-yl)-thiophene-2-sulfonic acid amide
CID 11609277
1-Methyl-2-(4-methylphenyl)sulfonylindole
CID 155569116
9,15-Dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 58258804

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thiophen-2-ylsulfonylindole?
The IUPAC name of 1-methyl-2-thiophen-2-ylsulfonylindole (CID 155551545) is 1-methyl-2-thiophen-2-ylsulfonylindole.
What is the SMILES notation for 1-methyl-2-thiophen-2-ylsulfonylindole?
The canonical SMILES for 1-methyl-2-thiophen-2-ylsulfonylindole is Cn1c(S(=O)(=O)c2cccs2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-thiophen-2-ylsulfonylindole?
The InChIKey is OVSXKFMBYMXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S2/c1-14-11-6-3-2-5-10(11)9-12(14)18(15,16)13-7-4-8-17-13/h2-9H,1H3.
What are the key properties of 1-methyl-2-thiophen-2-ylsulfonylindole?
1-methyl-2-thiophen-2-ylsulfonylindole has a molecular weight of 277.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thiophen-2-ylsulfonylindole is sourced from PubChem (CID 155551545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).