7-propylsulfonyl-1H-indole

C11H13NO2S — CID 162162215

IUPAC7-propylsulfonyl-1H-indole
SMILESCCCS(=O)(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H13NO2S/c1-2-8-15(13,14)10-5-3-4-9-6-7-12-11(9)10/h3-7,12H,2,8H2,1H3
InChIKeyAZMJRJGVODUTKR-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.35
Rot. Bonds3

About 7-propylsulfonyl-1H-indole

7-propylsulfonyl-1H-indole (PubChem CID 162162215) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 7-propylsulfonyl-1H-indole.

Molecular Properties

Compound Name7-propylsulfonyl-1H-indole
PubChem CID162162215
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name7-propylsulfonyl-1H-indole
SMILESCCCS(=O)(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H13NO2S/c1-2-8-15(13,14)10-5-3-4-9-6-7-12-11(9)10/h3-7,12H,2,8H2,1H3
InChIKeyAZMJRJGVODUTKR-UHFFFAOYSA-N
XLogP2.35
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propylsulfonyl-1H-indole?
The IUPAC name of 7-propylsulfonyl-1H-indole (CID 162162215) is 7-propylsulfonyl-1H-indole.
What is the SMILES notation for 7-propylsulfonyl-1H-indole?
The canonical SMILES for 7-propylsulfonyl-1H-indole is CCCS(=O)(=O)c1cccc2cc[nH]c12.
What is the InChIKey of 7-propylsulfonyl-1H-indole?
The InChIKey is AZMJRJGVODUTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-2-8-15(13,14)10-5-3-4-9-6-7-12-11(9)10/h3-7,12H,2,8H2,1H3.
What are the key properties of 7-propylsulfonyl-1H-indole?
7-propylsulfonyl-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylsulfonyl-1H-indole is sourced from PubChem (CID 162162215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).