3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide

C19H19FN2O4S — CID 46906281

IUPAC3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-16-6-4-13(5-7-16)18(23)14-8-10-22(11-9-14)19(24)15-2-1-3-17(12-15)27(21,25)26/h1-7,12,14H,8-11H2,(H2,21,25,26)
InChIKeyFZOJAYJACBTLNA-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.21
Rot. Bonds4

About 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide

3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 46906281) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID46906281
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H19FN2O4S/c20-16-6-4-13(5-7-16)18(23)14-8-10-22(11-9-14)19(24)15-2-1-3-17(12-15)27(21,25)26/h1-7,12,14H,8-11H2,(H2,21,25,26)
InChIKeyFZOJAYJACBTLNA-UHFFFAOYSA-N
XLogP2.21
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide (CID 46906281) is 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is FZOJAYJACBTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-16-6-4-13(5-7-16)18(23)14-8-10-22(11-9-14)19(24)15-2-1-3-17(12-15)27(21,25)26/h1-7,12,14H,8-11H2,(H2,21,25,26).
What are the key properties of 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide?
3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 46906281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).