4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride

C10H13F2N3O2S — CID 154879461

IUPAC4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C10H13F2N3O2S/c11-10-5-9(6-13-7-10)8-14-1-3-15(4-2-14)18(12,16)17/h5-7H,1-4,8H2
InChIKeyLPUIDVXBYMHORV-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.55
Rot. Bonds3

About 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride

4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride (PubChem CID 154879461) has the molecular formula C10H13F2N3O2S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
PubChem CID154879461
Molecular FormulaC10H13F2N3O2S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C10H13F2N3O2S/c11-10-5-9(6-13-7-10)8-14-1-3-15(4-2-14)18(12,16)17/h5-7H,1-4,8H2
InChIKeyLPUIDVXBYMHORV-UHFFFAOYSA-N
XLogP0.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
CID 171997094
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
(3aR,6aS)-5-[(5-fluoro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660916
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
1-[(5-fluoro-3-pyridinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171994100
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
3-[[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 171690429
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 166604628
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 166601787

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride (CID 154879461) is 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride is O=S(=O)(F)N1CCN(Cc2cncc(F)c2)CC1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride?
The InChIKey is LPUIDVXBYMHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2S/c11-10-5-9(6-13-7-10)8-14-1-3-15(4-2-14)18(12,16)17/h5-7H,1-4,8H2.
What are the key properties of 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride?
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride has a molecular weight of 277.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride is sourced from PubChem (CID 154879461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).