1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid

C15H12FNO4S — CID 90488136

IUPAC1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO4S/c16-12-5-1-2-7-14(12)22(20,21)17-9-8-10-11(15(18)19)4-3-6-13(10)17/h1-7H,8-9H2,(H,18,19)
InChIKeyLMFVZVPIDYWXKJ-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid

1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid (PubChem CID 90488136) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid
PubChem CID90488136
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CCN2S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H12FNO4S/c16-12-5-1-2-7-14(12)22(20,21)17-9-8-10-11(15(18)19)4-3-6-13(10)17/h1-7H,8-9H2,(H,18,19)
InChIKeyLMFVZVPIDYWXKJ-UHFFFAOYSA-N
XLogP2.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid (CID 90488136) is 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid is O=C(O)c1cccc2c1CCN2S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is LMFVZVPIDYWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4S/c16-12-5-1-2-7-14(12)22(20,21)17-9-8-10-11(15(18)19)4-3-6-13(10)17/h1-7H,8-9H2,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid?
1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 90488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).