4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide

C16H19FN4O2S — CID 171997094

IUPAC4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3cncc(F)c3)CC2)cc1
InChIInChI=1S/C16H19FN4O2S/c17-14-9-13(10-19-11-14)12-20-5-7-21(8-6-20)15-1-3-16(4-2-15)24(18,22)23/h1-4,9-11H,5-8,12H2,(H2,18,22,23)
InChIKeyDCUCMIGYNAQREU-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.19
Rot. Bonds4

About 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide

4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 171997094) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
PubChem CID171997094
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3cncc(F)c3)CC2)cc1
InChIInChI=1S/C16H19FN4O2S/c17-14-9-13(10-19-11-14)12-20-5-7-21(8-6-20)15-1-3-16(4-2-15)24(18,22)23/h1-4,9-11H,5-8,12H2,(H2,18,22,23)
InChIKeyDCUCMIGYNAQREU-UHFFFAOYSA-N
XLogP1.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 166601787
4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 146138395
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
CID 21186124
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 172902149
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 166604628
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290509
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546152
4-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 78896377
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide (CID 171997094) is 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(Cc3cncc(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is DCUCMIGYNAQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c17-14-9-13(10-19-11-14)12-20-5-7-21(8-6-20)15-1-3-16(4-2-15)24(18,22)23/h1-4,9-11H,5-8,12H2,(H2,18,22,23).
What are the key properties of 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 350.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171997094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).