1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine

C16H18FN3O2S — CID 120763880

IUPAC1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(Cc1ccccc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H18FN3O2S/c17-15-6-2-1-4-14(15)12-23(21,22)20-9-8-19-11-16(20)13-5-3-7-18-10-13/h1-7,10,16,19H,8-9,11-12H2
InChIKeyPLPSBJHOBTWUOF-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.70
Rot. Bonds4

About 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine

1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine (PubChem CID 120763880) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
PubChem CID120763880
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(Cc1ccccc1F)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H18FN3O2S/c17-15-6-2-1-4-14(15)12-23(21,22)20-9-8-19-11-16(20)13-5-3-7-18-10-13/h1-7,10,16,19H,8-9,11-12H2
InChIKeyPLPSBJHOBTWUOF-UHFFFAOYSA-N
XLogP1.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763847
1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(2-fluoro-6-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764186
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763498
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine (CID 120763880) is 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine is O=S(=O)(Cc1ccccc1F)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine?
The InChIKey is PLPSBJHOBTWUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-15-6-2-1-4-14(15)12-23(21,22)20-9-8-19-11-16(20)13-5-3-7-18-10-13/h1-7,10,16,19H,8-9,11-12H2.
What are the key properties of 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine?
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine has a molecular weight of 335.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).