4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine

C23H32FN3O5S2 — CID 85470417

IUPAC4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine
SMILESCC(C)CN(Cc1ccc(F)cc1)S(=O)(=O)Nc1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C23H32FN3O5S2/c1-18(2)16-27(17-19-4-6-20(24)7-5-19)34(30,31)25-21-8-10-22(11-9-21)32-23-12-14-26(15-13-23)33(3,28)29/h4-11,18,23,25H,12-17H2,1-3H3
InChIKeyOJUJYXWCBXSXGY-UHFFFAOYSA-N
MW513.66 g/mol
LogP3.44
Rot. Bonds10

About 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine

4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine (PubChem CID 85470417) has the molecular formula C23H32FN3O5S2 and a molecular weight of 513.66 g/mol. Its IUPAC name is 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine
PubChem CID85470417
Molecular FormulaC23H32FN3O5S2
Molecular Weight513.66 g/mol
Exact Mass513.18
IUPAC Name4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine
SMILESCC(C)CN(Cc1ccc(F)cc1)S(=O)(=O)Nc1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C23H32FN3O5S2/c1-18(2)16-27(17-19-4-6-20(24)7-5-19)34(30,31)25-21-8-10-22(11-9-21)32-23-12-14-26(15-13-23)33(3,28)29/h4-11,18,23,25H,12-17H2,1-3H3
InChIKeyOJUJYXWCBXSXGY-UHFFFAOYSA-N
XLogP3.44
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine with MolForge

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Related Compounds

Dofetilide
CID 71329
Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-
CID 10455225
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
N-(3-((dimethylamino)methyl)-4-(4-(trifluoromethyl)phenoxy)phenyl)methanesulfonamide
CID 10110820
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-prop-2-enylamino]ethyl]phenyl]methanesulfonamide
CID 10983512
N-[4-[2-[bis[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 11125100
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 11734297
(S)-1-(4-Methanesulfonamidophenoxy)-3-(2-fluorophenylethylamino)-2-propanol
CID 25107623
(S)-1-(4-Methanesulfonamidophenoxy)-3-(3-fluorophenylethylamino)-2-propanol
CID 25107624
(S)-1-(4-Methanesulfonamidophenoxy)-3-(4-fluorophenylethylamino)-2-propanol
CID 25107625
(S)-1-(4-Methanesulfonamidophenoxy)-3-(3,4-difluorophenylethylamino)-2-propanol
CID 25107626
N-[5-(2-Benzylamino-ethoxy)-2-fluoro-phenyl]-methanesulfonamide
CID 44332646

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine (CID 85470417) is 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine is CC(C)CN(Cc1ccc(F)cc1)S(=O)(=O)Nc1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine?
The InChIKey is OJUJYXWCBXSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O5S2/c1-18(2)16-27(17-19-4-6-20(24)7-5-19)34(30,31)25-21-8-10-22(11-9-21)32-23-12-14-26(15-13-23)33(3,28)29/h4-11,18,23,25H,12-17H2,1-3H3.
What are the key properties of 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine?
4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine has a molecular weight of 513.66 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(4-fluorophenyl)methyl-(2-methylpropyl)sulfamoyl]amino]phenoxy]-1-methylsulfonylpiperidine is sourced from PubChem (CID 85470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).