[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone

C16H21FN2O3S — CID 134373985

IUPAC[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)15-8-11-19(12-15)16(20)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2
InChIKeyPNSAXKGZTUGFIS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.28
Rot. Bonds2

About [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone

[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 134373985) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
PubChem CID134373985
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)15-8-11-19(12-15)16(20)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2
InChIKeyPNSAXKGZTUGFIS-UHFFFAOYSA-N
XLogP2.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
1-[2-(4-Benzenesulfonyl-piperidin-1-yl)-ethyl]-imidazolidin-2-one
CID 11099801
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 57393121
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
N-(tert-butyl)-4-((4-fluorophenyl)sulfonyl)piperidine-1-carboxamide
CID 71808834
2-((4-Fluorophenyl)thio)-1-(4-(methylsulfonyl)piperidin-1-yl)ethanone
CID 86264206
1-[3-(4-Fluorophenyl)sulfonylpyrrolidine-1-carbonyl]pyrrolidine-3-carbonitrile
CID 134374368
N-ethyl-2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxamide
CID 76147503
(2R)-2-(benzenesulfonylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 97551231
N-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 13608026
2,2,2-Trifluoro-1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylpiperidin-1-yl]ethanone
CID 18538539
2,2,2-Trifluoro-1-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-1-yl]ethanone
CID 18539211

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone (CID 134373985) is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is PNSAXKGZTUGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-13-4-6-14(7-5-13)23(21,22)15-8-11-19(12-15)16(20)18-9-2-1-3-10-18/h4-7,15H,1-3,8-12H2.
What are the key properties of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone?
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 340.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134373985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).