4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide

C22H27ClF2N2O3S — CID 129065728

IUPAC4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)c(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H27ClF2N2O3S/c1-14(2)11-27-31(28,29)22-10-19(24)21(9-20(22)25)30-13-16-12-26-8-7-18(16)15-3-5-17(23)6-4-15/h3-6,9-10,14,16,18,26-27H,7-8,11-13H2,1-2H3/t16-,18?/m0/s1
InChIKeyQHQZPTNDCRWOPP-ATNAJCNCSA-N
MW472.99 g/mol
LogP4.32
Rot. Bonds8

About 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide

4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 129065728) has the molecular formula C22H27ClF2N2O3S and a molecular weight of 472.99 g/mol. Its IUPAC name is 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID129065728
Molecular FormulaC22H27ClF2N2O3S
Molecular Weight472.99 g/mol
Exact Mass472.14
IUPAC Name4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)c(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H27ClF2N2O3S/c1-14(2)11-27-31(28,29)22-10-19(24)21(9-20(22)25)30-13-16-12-26-8-7-18(16)15-3-5-17(23)6-4-15/h3-6,9-10,14,16,18,26-27H,7-8,11-13H2,1-2H3/t16-,18?/m0/s1
InChIKeyQHQZPTNDCRWOPP-ATNAJCNCSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluorophenyl]sulfonylacetamide
CID 71559036
(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
4-[[4-(4-chlorophenyl)piperidin-3-yl]methoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 78111126
(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)-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
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide (CID 129065728) is 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1cc(F)c(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QHQZPTNDCRWOPP-ATNAJCNCSA-N. The full InChI is InChI=1S/C22H27ClF2N2O3S/c1-14(2)11-27-31(28,29)22-10-19(24)21(9-20(22)25)30-13-16-12-26-8-7-18(16)15-3-5-17(23)6-4-15/h3-6,9-10,14,16,18,26-27H,7-8,11-13H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide?
4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 472.99 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 129065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).