1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole

C15H14FNO2S — CID 5297455

IUPAC1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c1-11-10-12-4-2-3-5-15(12)17(11)20(18,19)14-8-6-13(16)7-9-14/h2-9,11H,10H2,1H3
InChIKeyJTVYJUYDRJWKRE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.97
Rot. Bonds2

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

1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 5297455) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID5297455
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c1-11-10-12-4-2-3-5-15(12)17(11)20(18,19)14-8-6-13(16)7-9-14/h2-9,11H,10H2,1H3
InChIKeyJTVYJUYDRJWKRE-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 5297455) is 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is JTVYJUYDRJWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-11-10-12-4-2-3-5-15(12)17(11)20(18,19)14-8-6-13(16)7-9-14/h2-9,11H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 291.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 5297455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).