[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone

C19H20F2N2O3S — CID 9094624

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3S/c1-13-6-7-14(2)15(12-13)19(24)22-8-10-23(11-9-22)27(25,26)18-16(20)4-3-5-17(18)21/h3-7,12H,8-11H2,1-2H3
InChIKeyFHTVKOHQGRLSPX-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.73
Rot. Bonds3

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 9094624) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
PubChem CID9094624
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3S/c1-13-6-7-14(2)15(12-13)19(24)22-8-10-23(11-9-22)27(25,26)18-16(20)4-3-5-17(18)21/h3-7,12H,8-11H2,1-2H3
InChIKeyFHTVKOHQGRLSPX-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
(2,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924609
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
1-(2,6-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 56777767
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 43037207
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 37273958
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 32912403
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9370334
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]methanone
CID 55432792

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone (CID 9094624) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is FHTVKOHQGRLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-6-7-14(2)15(12-13)19(24)22-8-10-23(11-9-22)27(25,26)18-16(20)4-3-5-17(18)21/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 394.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 9094624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).