[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone

C29H23F4N3O5S — CID 56646350

IUPAC[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C29H23F4N3O5S/c30-21-9-13-23(14-10-21)40-22-11-7-20(8-12-22)26-5-2-6-27(34-26)28(37)35-15-17-36(18-16-35)42(38,39)25-4-1-3-24(19-25)41-29(31,32)33/h1-14,19H,15-18H2
InChIKeyWZMHJEKKAPVEGN-UHFFFAOYSA-N
MW601.58 g/mol
LogP5.73
Rot. Bonds7

About [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone

[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 56646350) has the molecular formula C29H23F4N3O5S and a molecular weight of 601.58 g/mol. Its IUPAC name is [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID56646350
Molecular FormulaC29H23F4N3O5S
Molecular Weight601.58 g/mol
Exact Mass601.13
IUPAC Name[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C29H23F4N3O5S/c30-21-9-13-23(14-10-21)40-22-11-7-20(8-12-22)26-5-2-6-27(34-26)28(37)35-15-17-36(18-16-35)42(38,39)25-4-1-3-24(19-25)41-29(31,32)33/h1-14,19H,15-18H2
InChIKeyWZMHJEKKAPVEGN-UHFFFAOYSA-N
XLogP5.73
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.58
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

Pyridine amide, 29
CID 44237004
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
[6-[4-(4-Fluorophenoxy)phenyl]pyridin-2-yl]-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 56645959
(6-(4-(4-Fluorophenoxy)phenyl)pyridin-2-yl)(4-((3-(methylsulfonyl)phenyl)sulfonyl)piperazin-1-yl)methanone
CID 56645960
4-[4-[6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 56646148
1-[[4-[6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 56646150
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
CID 56646152
[6-[4-(4-Fluorophenoxy)phenyl]-2-pyridinyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 56646349
3-[4-[6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 56646351
[6-[4-(4-Fluorophenoxy)phenyl]-2-pyridinyl]-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-yl]methanone
CID 56646559
6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 56646560
6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
CID 56646561

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone (CID 56646350) is [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone is O=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is WZMHJEKKAPVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N3O5S/c30-21-9-13-23(14-10-21)40-22-11-7-20(8-12-22)26-5-2-6-27(34-26)28(37)35-15-17-36(18-16-35)42(38,39)25-4-1-3-24(19-25)41-29(31,32)33/h1-14,19H,15-18H2.
What are the key properties of [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone?
[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 601.58 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 56646350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).