[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone

C26H26F2N2O3S — CID 60575634

IUPAC[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C26H26F2N2O3S/c27-20-10-11-23(28)25(17-20)34(32,33)29-15-12-19(13-16-29)26(31)30-14-4-9-24(30)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-8,10-11,17,19,24H,4,9,12-16H2
InChIKeyKZVWNPQOMDHAMG-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.88
Rot. Bonds4

About [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone (PubChem CID 60575634) has the molecular formula C26H26F2N2O3S and a molecular weight of 484.57 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
PubChem CID60575634
Molecular FormulaC26H26F2N2O3S
Molecular Weight484.57 g/mol
Exact Mass484.16
IUPAC Name[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C26H26F2N2O3S/c27-20-10-11-23(28)25(17-20)34(32,33)29-15-12-19(13-16-29)26(31)30-14-4-9-24(30)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-8,10-11,17,19,24H,4,9,12-16H2
InChIKeyKZVWNPQOMDHAMG-UHFFFAOYSA-N
XLogP4.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 25410031
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 51855932
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95587901
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
(4R)-4-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 25469157
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide
CID 167890494
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55558546

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone (CID 60575634) is [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1c1cccc2ccccc12.
What is the InChIKey of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is KZVWNPQOMDHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O3S/c27-20-10-11-23(28)25(17-20)34(32,33)29-15-12-19(13-16-29)26(31)30-14-4-9-24(30)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-8,10-11,17,19,24H,4,9,12-16H2.
What are the key properties of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone?
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 484.57 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60575634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).