N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide

C20H21ClF2N2O4S — CID 71559036

IUPACN-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(F)c(OC[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H21ClF2N2O4S/c1-12(26)25-30(27,28)20-9-17(22)19(8-18(20)23)29-11-14-10-24-7-6-16(14)13-2-4-15(21)5-3-13/h2-5,8-9,14,16,24H,6-7,10-11H2,1H3,(H,25,26)/t14-,16-/m1/s1
InChIKeyGOAIBJBKJNXGFS-GDBMZVCRSA-N
MW458.91 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide

N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide (PubChem CID 71559036) has the molecular formula C20H21ClF2N2O4S and a molecular weight of 458.91 g/mol. Its IUPAC name is N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide
PubChem CID71559036
Molecular FormulaC20H21ClF2N2O4S
Molecular Weight458.91 g/mol
Exact Mass458.09
IUPAC NameN-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(F)c(OC[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H21ClF2N2O4S/c1-12(26)25-30(27,28)20-9-17(22)19(8-18(20)23)29-11-14-10-24-7-6-16(14)13-2-4-15(21)5-3-13/h2-5,8-9,14,16,24H,6-7,10-11H2,1H3,(H,25,26)/t14-,16-/m1/s1
InChIKeyGOAIBJBKJNXGFS-GDBMZVCRSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide
CID 129065728
(3R,4S)-3-[(2,5-difluoro-4-pyrazol-1-ylsulfonylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 71559032
2,5-difluoro-4-[(4-phenylpiperidin-3-yl)methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 78111365
4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-3-cyano-N-propan-2-ylbenzenesulfonamide
CID 71558728
4-[[(1R,2R,5S)-2-(4-chlorophenyl)-5-hydroxycyclohexyl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71559327
(3S,4R)-3-[(5-bromo-2-chlorophenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 25110715
(3S,4R)-4-(4-chlorophenyl)-3-[[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 152707992
4-(4-chlorophenyl)-3-[[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 121375272
4-[[4-(4-chlorophenyl)piperidin-3-yl]methoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 78111126
4-[[4-(4-chlorophenyl)-1-(2-fluoroethyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 78111368
actinium;bis((3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);methanesulfonic acid;hydrate
CID 159045242
acetic acid;(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
CID 70340465

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide?
The IUPAC name of N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide (CID 71559036) is N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1cc(F)c(OC[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide?
The InChIKey is GOAIBJBKJNXGFS-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H21ClF2N2O4S/c1-12(26)25-30(27,28)20-9-17(22)19(8-18(20)23)29-11-14-10-24-7-6-16(14)13-2-4-15(21)5-3-13/h2-5,8-9,14,16,24H,6-7,10-11H2,1H3,(H,25,26)/t14-,16-/m1/s1.
What are the key properties of N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide?
N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide has a molecular weight of 458.91 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide is sourced from PubChem (CID 71559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).