4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide

C25H27FN2O4S — CID 46055350

IUPAC4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
SMILESCOc1cc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C25H27FN2O4S/c1-32-25-17-19(7-12-24(25)29)18-27-15-13-22(14-16-27)28(21-5-3-2-4-6-21)33(30,31)23-10-8-20(26)9-11-23/h2-12,17,22,29H,13-16,18H2,1H3
InChIKeyKTMIPQCXZDPWBM-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.40
Rot. Bonds7

About 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide

4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide (PubChem CID 46055350) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
PubChem CID46055350
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
SMILESCOc1cc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C25H27FN2O4S/c1-32-25-17-19(7-12-24(25)29)18-27-15-13-22(14-16-27)28(21-5-3-2-4-6-21)33(30,31)23-10-8-20(26)9-11-23/h2-12,17,22,29H,13-16,18H2,1H3
InChIKeyKTMIPQCXZDPWBM-UHFFFAOYSA-N
XLogP4.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide (CID 46055350) is 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide is COc1cc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O.
What is the InChIKey of 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide?
The InChIKey is KTMIPQCXZDPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-32-25-17-19(7-12-24(25)29)18-27-15-13-22(14-16-27)28(21-5-3-2-4-6-21)33(30,31)23-10-8-20(26)9-11-23/h2-12,17,22,29H,13-16,18H2,1H3.
What are the key properties of 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide?
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide has a molecular weight of 470.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 46055350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).