[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone

C19H20F2N2O3S2 — CID 32912403

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3S2/c1-13-3-5-15(27-2)12-16(13)19(24)22-7-9-23(10-8-22)28(25,26)18-11-14(20)4-6-17(18)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUNAYCZDBJLQQRO-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.14
Rot. Bonds4

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone (PubChem CID 32912403) has the molecular formula C19H20F2N2O3S2 and a molecular weight of 426.51 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
PubChem CID32912403
Molecular FormulaC19H20F2N2O3S2
Molecular Weight426.51 g/mol
Exact Mass426.09
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O3S2/c1-13-3-5-15(27-2)12-16(13)19(24)22-7-9-23(10-8-22)28(25,26)18-11-14(20)4-6-17(18)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUNAYCZDBJLQQRO-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 9194106
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41275096
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 41275105
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 41275094
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 18118416
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 55532115
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9094624
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]methanone
CID 55432762
(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 41275047
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 55997998

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone (CID 32912403) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone is CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone?
The InChIKey is UNAYCZDBJLQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S2/c1-13-3-5-15(27-2)12-16(13)19(24)22-7-9-23(10-8-22)28(25,26)18-11-14(20)4-6-17(18)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone has a molecular weight of 426.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone is sourced from PubChem (CID 32912403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).