4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide

C20H22FN3O3S2 — CID 37361797

IUPAC4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CN3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cs2)o1
InChIInChI=1S/C20H22FN3O3S2/c1-14-2-7-19(27-14)20-22-17(13-28-20)12-24-10-8-16(9-11-24)23-29(25,26)18-5-3-15(21)4-6-18/h2-7,13,16,23H,8-12H2,1H3
InChIKeyPDETUBZMYNLNPT-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.79
Rot. Bonds6

About 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 37361797) has the molecular formula C20H22FN3O3S2 and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID37361797
Molecular FormulaC20H22FN3O3S2
Molecular Weight435.55 g/mol
Exact Mass435.11
IUPAC Name4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CN3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cs2)o1
InChIInChI=1S/C20H22FN3O3S2/c1-14-2-7-19(27-14)20-22-17(13-28-20)12-24-10-8-16(9-11-24)23-29(25,26)18-5-3-15(21)4-6-18/h2-7,13,16,23H,8-12H2,1H3
InChIKeyPDETUBZMYNLNPT-UHFFFAOYSA-N
XLogP3.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide (CID 37361797) is 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide is Cc1ccc(-c2nc(CN3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cs2)o1.
What is the InChIKey of 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is PDETUBZMYNLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S2/c1-14-2-7-19(27-14)20-22-17(13-28-20)12-24-10-8-16(9-11-24)23-29(25,26)18-5-3-15(21)4-6-18/h2-7,13,16,23H,8-12H2,1H3.
What are the key properties of 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 37361797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).