[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C15H19ClFN3O4S — CID 55558853

IUPAC[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O4S/c16-13-11-12(17)1-2-14(13)25(22,23)20-5-3-18(4-6-20)15(21)19-7-9-24-10-8-19/h1-2,11H,3-10H2
InChIKeyZNXHPUORMMZNND-UHFFFAOYSA-N
MW391.85 g/mol
LogP1.24
Rot. Bonds2

About [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 55558853) has the molecular formula C15H19ClFN3O4S and a molecular weight of 391.85 g/mol. Its IUPAC name is [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID55558853
Molecular FormulaC15H19ClFN3O4S
Molecular Weight391.85 g/mol
Exact Mass391.08
IUPAC Name[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O4S/c16-13-11-12(17)1-2-14(13)25(22,23)20-5-3-18(4-6-20)15(21)19-7-9-24-10-8-19/h1-2,11H,3-10H2
InChIKeyZNXHPUORMMZNND-UHFFFAOYSA-N
XLogP1.24
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603010
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 32681569
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 55558853) is [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ZNXHPUORMMZNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O4S/c16-13-11-12(17)1-2-14(13)25(22,23)20-5-3-18(4-6-20)15(21)19-7-9-24-10-8-19/h1-2,11H,3-10H2.
What are the key properties of [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 391.85 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55558853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).