4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

C16H23FN2O3S — CID 70758682

IUPAC4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-2-1-4-14(15)12-13-7-9-19(10-8-13)16(20)6-3-11-23(18,21)22/h1-2,4-5,13H,3,6-12H2,(H2,18,21,22)
InChIKeyCATQKJQRHYCEDB-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.68
Rot. Bonds6

About 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 70758682) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID70758682
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-5-2-1-4-14(15)12-13-7-9-19(10-8-13)16(20)6-3-11-23(18,21)22/h1-2,4-5,13H,3,6-12H2,(H2,18,21,22)
InChIKeyCATQKJQRHYCEDB-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
(4-Benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176
4-Benzyl-1-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperidine
CID 3245774
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
(4-Benzylpiperidin-1-yl)-(1-benzylsulfonylpiperidin-3-yl)methanone
CID 4154453
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
1-((4-fluorophenyl)sulfonyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8035226
3-[(4-Benzylpiperidin-1-yl)carbonyl]-1-(propylsulfonyl)piperidine
CID 3237289
Tert-butyl 4-[(benzylsulfonyl)carbamoyl]piperidine-1-carboxylate
CID 44389190

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 70758682) is 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is CATQKJQRHYCEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c17-15-5-2-1-4-14(15)12-13-7-9-19(10-8-13)16(20)6-3-11-23(18,21)22/h1-2,4-5,13H,3,6-12H2,(H2,18,21,22).
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 70758682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).