N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide

C20H23FN2O4S — CID 50823739

IUPACN-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-15-2-8-19(9-3-15)28(25,26)22-17-10-12-23(13-11-17)20(24)14-27-18-6-4-16(21)5-7-18/h2-9,17,22H,10-14H2,1H3
InChIKeyLDOIDPAJJHKBCK-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.48
Rot. Bonds6

About N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide

N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 50823739) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID50823739
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-15-2-8-19(9-3-15)28(25,26)22-17-10-12-23(13-11-17)20(24)14-27-18-6-4-16(21)5-7-18/h2-9,17,22H,10-14H2,1H3
InChIKeyLDOIDPAJJHKBCK-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide (CID 50823739) is N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is LDOIDPAJJHKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-15-2-8-19(9-3-15)28(25,26)22-17-10-12-23(13-11-17)20(24)14-27-18-6-4-16(21)5-7-18/h2-9,17,22H,10-14H2,1H3.
What are the key properties of N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 50823739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).