3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole

C16H14FNO2S — CID 2157568

IUPAC3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole
SMILESCn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO2S/c1-18-10-16(14-4-2-3-5-15(14)18)21(19,20)11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3
InChIKeyCSWOTBQXBLETIE-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.29
Rot. Bonds3

About 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole

3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole (PubChem CID 2157568) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole
PubChem CID2157568
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole
SMILESCn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO2S/c1-18-10-16(14-4-2-3-5-15(14)18)21(19,20)11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3
InChIKeyCSWOTBQXBLETIE-UHFFFAOYSA-N
XLogP3.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9840311
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CID 10017687
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CID 10042892
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CID 10246639
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CID 11723168
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CID 11958319
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CID 24861136
CID 24861136

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole (CID 2157568) is 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole is Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole?
The InChIKey is CSWOTBQXBLETIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-18-10-16(14-4-2-3-5-15(14)18)21(19,20)11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole?
3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole has a molecular weight of 303.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfonyl]-1-methylindole is sourced from PubChem (CID 2157568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).