[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

C21H24F2N2O4S — CID 2540987

IUPAC[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C)c1
InChIInChI=1S/C21H24F2N2O4S/c1-14-12-15(2)19(16(3)13-14)30(27,28)25-10-8-24(9-11-25)20(26)17-6-4-5-7-18(17)29-21(22)23/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyPWIDFAOPGKVCRN-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.36
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2540987) has the molecular formula C21H24F2N2O4S and a molecular weight of 438.50 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2540987
Molecular FormulaC21H24F2N2O4S
Molecular Weight438.50 g/mol
Exact Mass438.14
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C)c1
InChIInChI=1S/C21H24F2N2O4S/c1-14-12-15(2)19(16(3)13-14)30(27,28)25-10-8-24(9-11-25)20(26)17-6-4-5-7-18(17)29-21(22)23/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyPWIDFAOPGKVCRN-UHFFFAOYSA-N
XLogP3.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 166230977
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 155969258
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55339570
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46482939
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2540987) is [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C)c1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is PWIDFAOPGKVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4S/c1-14-12-15(2)19(16(3)13-14)30(27,28)25-10-8-24(9-11-25)20(26)17-6-4-5-7-18(17)29-21(22)23/h4-7,12-13,21H,8-11H2,1-3H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 438.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2540987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).