N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide

C21H28FN3O2S — CID 92616479

IUPACN,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C21H28FN3O2S/c1-3-24(4-2)28(26,27)25-13-11-18(12-14-25)21-10-9-17(16-23-21)15-19-7-5-6-8-20(19)22/h5-10,16,18H,3-4,11-15H2,1-2H3
InChIKeyYYEJEQXBVIUXMP-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.58
Rot. Bonds7

About N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide

N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 92616479) has the molecular formula C21H28FN3O2S and a molecular weight of 405.54 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID92616479
Molecular FormulaC21H28FN3O2S
Molecular Weight405.54 g/mol
Exact Mass405.19
IUPAC NameN,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C21H28FN3O2S/c1-3-24(4-2)28(26,27)25-13-11-18(12-14-25)21-10-9-17(16-23-21)15-19-7-5-6-8-20(19)22/h5-10,16,18H,3-4,11-15H2,1-2H3
InChIKeyYYEJEQXBVIUXMP-UHFFFAOYSA-N
XLogP3.58
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide (CID 92616479) is N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1.
What is the InChIKey of N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is YYEJEQXBVIUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2S/c1-3-24(4-2)28(26,27)25-13-11-18(12-14-25)21-10-9-17(16-23-21)15-19-7-5-6-8-20(19)22/h5-10,16,18H,3-4,11-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide?
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 405.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 92616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).