1H-indole;3-methylsulfonyl-1H-indole

C17H16N2O2S — CID 167634446

IUPAC1H-indole;3-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO2S.C8H7N/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9;1-2-4-8-7(3-1)5-6-9-8/h2-6,10H,1H3;1-6,9H
InChIKeyOGRDVGYPMAJTAA-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.74
Rot. Bonds1

About 1H-indole;3-methylsulfonyl-1H-indole

1H-indole;3-methylsulfonyl-1H-indole (PubChem CID 167634446) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1H-indole;3-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name1H-indole;3-methylsulfonyl-1H-indole
PubChem CID167634446
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name1H-indole;3-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C9H9NO2S.C8H7N/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9;1-2-4-8-7(3-1)5-6-9-8/h2-6,10H,1H3;1-6,9H
InChIKeyOGRDVGYPMAJTAA-UHFFFAOYSA-N
XLogP3.74
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfonyl-1H-indole
CID 86767790
bis(1H-indole);methanol
CID 70305490
1H-indole;oxozinc
CID 174920230
ethane;1H-indole;methane
CID 169425426
1H-indole;dihydrochloride
CID 18796541
acetaldehyde;1H-indole
CID 22501409
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
1H-indole-3-sulfonohydrazide
CID 82284140

Frequently Asked Questions

What is the IUPAC name of 1H-indole;3-methylsulfonyl-1H-indole?
The IUPAC name of 1H-indole;3-methylsulfonyl-1H-indole (CID 167634446) is 1H-indole;3-methylsulfonyl-1H-indole.
What is the SMILES notation for 1H-indole;3-methylsulfonyl-1H-indole?
The canonical SMILES for 1H-indole;3-methylsulfonyl-1H-indole is CS(=O)(=O)c1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;3-methylsulfonyl-1H-indole?
The InChIKey is OGRDVGYPMAJTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S.C8H7N/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9;1-2-4-8-7(3-1)5-6-9-8/h2-6,10H,1H3;1-6,9H.
What are the key properties of 1H-indole;3-methylsulfonyl-1H-indole?
1H-indole;3-methylsulfonyl-1H-indole has a molecular weight of 312.39 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;3-methylsulfonyl-1H-indole is sourced from PubChem (CID 167634446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).