4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

C17H19FN2O4S — CID 90521856

IUPAC4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeyJGQXRPRPBDLHFX-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.25
Rot. Bonds5

About 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 90521856) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID90521856
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2
InChIKeyJGQXRPRPBDLHFX-UHFFFAOYSA-N
XLogP2.25
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521872
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 31817470
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 71796819

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 90521856) is 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is JGQXRPRPBDLHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c18-15-1-3-16(4-2-15)25(22,23)19-11-13-5-8-20(9-6-13)17(21)14-7-10-24-12-14/h1-4,7,10,12-13,19H,5-6,8-9,11H2.
What are the key properties of 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90521856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).