4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide

C23H26FN3O3S — CID 126466997

IUPAC4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCC(NCCc3ccco3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S/c24-18-6-8-23(9-7-18)31(28,29)26-20-3-1-4-21(17-20)27-14-11-19(12-15-27)25-13-10-22-5-2-16-30-22/h1-9,16-17,19,25-26H,10-15H2
InChIKeyMZXASHCEYWPLSW-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.02
Rot. Bonds8

About 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide

4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide (PubChem CID 126466997) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
PubChem CID126466997
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCC(NCCc3ccco3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3S/c24-18-6-8-23(9-7-18)31(28,29)26-20-3-1-4-21(17-20)27-14-11-19(12-15-27)25-13-10-22-5-2-16-30-22/h1-9,16-17,19,25-26H,10-15H2
InChIKeyMZXASHCEYWPLSW-UHFFFAOYSA-N
XLogP4.02
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide (CID 126466997) is 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(N2CCC(NCCc3ccco3)CC2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
The InChIKey is MZXASHCEYWPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c24-18-6-8-23(9-7-18)31(28,29)26-20-3-1-4-21(17-20)27-14-11-19(12-15-27)25-13-10-22-5-2-16-30-22/h1-9,16-17,19,25-26H,10-15H2.
What are the key properties of 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide has a molecular weight of 443.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 126466997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).