[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C20H22F2N2O5S — CID 55339570

IUPAC[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-14-6-8-15(9-7-14)30(26,27)24-12-10-23(11-13-24)19(25)16-4-3-5-17(28-2)18(16)29-20(21)22/h3-9,20H,10-13H2,1-2H3
InChIKeyMPCHSNPHUIWFLL-UHFFFAOYSA-N
MW440.47 g/mol
LogP2.75
Rot. Bonds6

About [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55339570) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55339570
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC Name[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-14-6-8-15(9-7-14)30(26,27)24-12-10-23(11-13-24)19(25)16-4-3-5-17(28-2)18(16)29-20(21)22/h3-9,20H,10-13H2,1-2H3
InChIKeyMPCHSNPHUIWFLL-UHFFFAOYSA-N
XLogP2.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
[4-[2-(difluoromethoxy)-3-methoxybenzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78848632
1-[4-[2-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55679204
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2540987
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536
(3-methoxy-4-propan-2-yloxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2103456
[(3R)-3-aminopyrrolidin-1-yl]-[2-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119413193
(5-fluoro-2-methoxyphenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31117130
[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
(3-chloro-4-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 100688213

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 55339570) is [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MPCHSNPHUIWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-14-6-8-15(9-7-14)30(26,27)24-12-10-23(11-13-24)19(25)16-4-3-5-17(28-2)18(16)29-20(21)22/h3-9,20H,10-13H2,1-2H3.
What are the key properties of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 440.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55339570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).