1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one

C16H21FN2O3S — CID 122142630

IUPAC1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
SMILESO=C(CCCS(=O)(=O)N1CCCC1)N1CCc2c(F)cccc21
InChIInChI=1S/C16H21FN2O3S/c17-14-5-3-6-15-13(14)8-11-19(15)16(20)7-4-12-23(21,22)18-9-1-2-10-18/h3,5-6H,1-2,4,7-12H2
InChIKeyNXKNORLGGOBOGO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.92
Rot. Bonds5

About 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one

1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one (PubChem CID 122142630) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
PubChem CID122142630
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
SMILESO=C(CCCS(=O)(=O)N1CCCC1)N1CCc2c(F)cccc21
InChIInChI=1S/C16H21FN2O3S/c17-14-5-3-6-15-13(14)8-11-19(15)16(20)7-4-12-23(21,22)18-9-1-2-10-18/h3,5-6H,1-2,4,7-12H2
InChIKeyNXKNORLGGOBOGO-UHFFFAOYSA-N
XLogP1.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-piperidin-1-ylsulfonylpentan-1-one
CID 110414609
N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421996
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 141312667
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420836
4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid
CID 154741511
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
1-(4-fluorophenyl)-2-pyrrolidin-1-ylsulfonylethanone
CID 16727412
3-cyano-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one (CID 122142630) is 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The canonical SMILES for 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one is O=C(CCCS(=O)(=O)N1CCCC1)N1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The InChIKey is NXKNORLGGOBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-14-5-3-6-15-13(14)8-11-19(15)16(20)7-4-12-23(21,22)18-9-1-2-10-18/h3,5-6H,1-2,4,7-12H2.
What are the key properties of 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one?
1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one has a molecular weight of 340.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one is sourced from PubChem (CID 122142630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).