4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine

C16H22ClFN2O3S — CID 60540053

IUPAC4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H22ClFN2O3S/c17-15-11-14(1-2-16(15)18)24(21,22)20-5-3-13(4-6-20)12-19-7-9-23-10-8-19/h1-2,11,13H,3-10,12H2
InChIKeyRDESYRDQHQHXFR-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.21
Rot. Bonds4

About 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine

4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine (PubChem CID 60540053) has the molecular formula C16H22ClFN2O3S and a molecular weight of 376.88 g/mol. Its IUPAC name is 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
PubChem CID60540053
Molecular FormulaC16H22ClFN2O3S
Molecular Weight376.88 g/mol
Exact Mass376.10
IUPAC Name4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H22ClFN2O3S/c17-15-11-14(1-2-16(15)18)24(21,22)20-5-3-13(4-6-20)12-19-7-9-23-10-8-19/h1-2,11,13H,3-10,12H2
InChIKeyRDESYRDQHQHXFR-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865667
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine (CID 60540053) is 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The InChIKey is RDESYRDQHQHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3S/c17-15-11-14(1-2-16(15)18)24(21,22)20-5-3-13(4-6-20)12-19-7-9-23-10-8-19/h1-2,11,13H,3-10,12H2.
What are the key properties of 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine has a molecular weight of 376.88 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 60540053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).