4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine

C15H21F2N3O3S — CID 39998547

IUPAC4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O3S/c16-14-3-1-2-13(15(14)17)12-18-4-6-19(7-5-18)24(21,22)20-8-10-23-11-9-20/h1-3H,4-12H2
InChIKeyDRTBXPLOBHTAAL-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.66
Rot. Bonds4

About 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine

4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 39998547) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
PubChem CID39998547
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H21F2N3O3S/c16-14-3-1-2-13(15(14)17)12-18-4-6-19(7-5-18)24(21,22)20-8-10-23-11-9-20/h1-3H,4-12H2
InChIKeyDRTBXPLOBHTAAL-UHFFFAOYSA-N
XLogP0.66
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
3-[[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]methyl]-2-fluoroaniline
CID 141137870
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
1-[(2,3-difluorophenyl)methyl]-4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidine
CID 42392649
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
ethyl 5-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508490
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 107113381

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine (CID 39998547) is 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is DRTBXPLOBHTAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c16-14-3-1-2-13(15(14)17)12-18-4-6-19(7-5-18)24(21,22)20-8-10-23-11-9-20/h1-3H,4-12H2.
What are the key properties of 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine?
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 361.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 39998547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).