1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine

C15H16FN3O2S — CID 120763589

IUPAC1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H16FN3O2S/c16-13-4-1-5-14(9-13)22(20,21)19-8-7-18-11-15(19)12-3-2-6-17-10-12/h1-6,9-10,15,18H,7-8,11H2
InChIKeyOOXHHUSMRLBFRG-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120763589) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120763589
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H16FN3O2S/c16-13-4-1-5-14(9-13)22(20,21)19-8-7-18-11-15(19)12-3-2-6-17-10-12/h1-6,9-10,15,18H,7-8,11H2
InChIKeyOOXHHUSMRLBFRG-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
CID 120763566
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120876710
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120763589) is 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is OOXHHUSMRLBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-13-4-1-5-14(9-13)22(20,21)19-8-7-18-11-15(19)12-3-2-6-17-10-12/h1-6,9-10,15,18H,7-8,11H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 321.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).