(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C20H23FN2O5S — CID 8933880

IUPAC(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O5S/c1-15(28-18-5-3-16(21)4-6-18)20(24)22-11-13-23(14-12-22)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyWVJJTTLKHVLWRO-OAHLLOKOSA-N
MW422.48 g/mol
LogP2.13
Rot. Bonds6

About (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 8933880) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID8933880
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC Name(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O5S/c1-15(28-18-5-3-16(21)4-6-18)20(24)22-11-13-23(14-12-22)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyWVJJTTLKHVLWRO-OAHLLOKOSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one with MolForge

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Related Compounds

4-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 8924756
4-[(2R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 8924760
(2S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenoxy)propan-1-one
CID 42561110
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
CID 55518911
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 55825746
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2664177
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 46508723
(2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2664094
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 8933880) is (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is WVJJTTLKHVLWRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-15(28-18-5-3-16(21)4-6-18)20(24)22-11-13-23(14-12-22)29(25,26)19-9-7-17(27-2)8-10-19/h3-10,15H,11-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 422.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 8933880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).