(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C22H24F3N3O4S — CID 38457840

IUPAC(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H24F3N3O4S/c23-22(24,25)18-7-5-17(6-8-18)19-3-1-2-4-20(19)21(29)26-9-11-27(12-10-26)33(30,31)28-13-15-32-16-14-28/h1-8H,9-16H2
InChIKeyMNZAAULNWZKBGR-UHFFFAOYSA-N
MW483.51 g/mol
LogP2.71
Rot. Bonds4

About (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 38457840) has the molecular formula C22H24F3N3O4S and a molecular weight of 483.51 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID38457840
Molecular FormulaC22H24F3N3O4S
Molecular Weight483.51 g/mol
Exact Mass483.14
IUPAC Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H24F3N3O4S/c23-22(24,25)18-7-5-17(6-8-18)19-3-1-2-4-20(19)21(29)26-9-11-27(12-10-26)33(30,31)28-13-15-32-16-14-28/h1-8H,9-16H2
InChIKeyMNZAAULNWZKBGR-UHFFFAOYSA-N
XLogP2.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 111560971
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 29260743
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119636698
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 55384994
2-methyl-N-[1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidin-4-yl]benzamide
CID 39511855
7-[2-[4-(trifluoromethyl)phenyl]benzoyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139006280
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
CID 70983578
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 38457840) is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is MNZAAULNWZKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4S/c23-22(24,25)18-7-5-17(6-8-18)19-3-1-2-4-20(19)21(29)26-9-11-27(12-10-26)33(30,31)28-13-15-32-16-14-28/h1-8H,9-16H2.
What are the key properties of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 483.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 38457840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).