2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone

C20H21FN2O3S — CID 4794154

IUPAC2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O3S/c21-17-6-2-4-8-19(17)27(25,26)22-12-9-16(10-13-22)20(24)23-14-11-15-5-1-3-7-18(15)23/h1-8,16H,9-14H2
InChIKeyMFPRVUQROQYSAY-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.82
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 4794154) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID4794154
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O3S/c21-17-6-2-4-8-19(17)27(25,26)22-12-9-16(10-13-22)20(24)23-14-11-15-5-1-3-7-18(15)23/h1-8,16H,9-14H2
InChIKeyMFPRVUQROQYSAY-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone (CID 4794154) is 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is MFPRVUQROQYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-17-6-2-4-8-19(17)27(25,26)22-12-9-16(10-13-22)20(24)23-14-11-15-5-1-3-7-18(15)23/h1-8,16H,9-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 388.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 4794154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).