N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

C20H21Cl2FN2O4S — CID 55850395

IUPACN-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21Cl2FN2O4S/c1-13(29-16-4-7-18(21)19(22)12-16)20(26)25-10-8-15(9-11-25)24-30(27,28)17-5-2-14(23)3-6-17/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeySJANNQGOUGHJBZ-UHFFFAOYSA-N
MW475.37 g/mol
LogP3.87
Rot. Bonds6

About N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 55850395) has the molecular formula C20H21Cl2FN2O4S and a molecular weight of 475.37 g/mol. Its IUPAC name is N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID55850395
Molecular FormulaC20H21Cl2FN2O4S
Molecular Weight475.37 g/mol
Exact Mass474.06
IUPAC NameN-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21Cl2FN2O4S/c1-13(29-16-4-7-18(21)19(22)12-16)20(26)25-10-8-15(9-11-25)24-30(27,28)17-5-2-14(23)3-6-17/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeySJANNQGOUGHJBZ-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
2-(3,4-dichlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836556
N-cyclohexyl-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxybenzenesulfonamide
CID 92513123
N-[1-(5-bromo-2-chlorobenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34347056
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
1-(3-anilinopyrrolidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one
CID 56503956

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 55850395) is N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is SJANNQGOUGHJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O4S/c1-13(29-16-4-7-18(21)19(22)12-16)20(26)25-10-8-15(9-11-25)24-30(27,28)17-5-2-14(23)3-6-17/h2-7,12-13,15,24H,8-11H2,1H3.
What are the key properties of N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 475.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 55850395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).