3-[(3-fluorophenyl)methylsulfonyl]-1H-indole

C15H12FNO2S — CID 2157546

IUPAC3-[(3-fluorophenyl)methylsulfonyl]-1H-indole
SMILESO=S(=O)(Cc1cccc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12FNO2S/c16-12-5-3-4-11(8-12)10-20(18,19)15-9-17-14-7-2-1-6-13(14)15/h1-9,17H,10H2
InChIKeyOUPOKCPRQHTKHY-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.28
Rot. Bonds3

About 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole

3-[(3-fluorophenyl)methylsulfonyl]-1H-indole (PubChem CID 2157546) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfonyl]-1H-indole
PubChem CID2157546
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name3-[(3-fluorophenyl)methylsulfonyl]-1H-indole
SMILESO=S(=O)(Cc1cccc(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12FNO2S/c16-12-5-3-4-11(8-12)10-20(18,19)15-9-17-14-7-2-1-6-13(14)15/h1-9,17H,10H2
InChIKeyOUPOKCPRQHTKHY-UHFFFAOYSA-N
XLogP3.28
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole (CID 2157546) is 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole is O=S(=O)(Cc1cccc(F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole?
The InChIKey is OUPOKCPRQHTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-12-5-3-4-11(8-12)10-20(18,19)15-9-17-14-7-2-1-6-13(14)15/h1-9,17H,10H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole?
3-[(3-fluorophenyl)methylsulfonyl]-1H-indole has a molecular weight of 289.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfonyl]-1H-indole is sourced from PubChem (CID 2157546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).