1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine

C20H24F2N2O3S — CID 55831490

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1cccc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-15(2)27-17-6-3-5-16(13-17)14-23-9-11-24(12-10-23)28(25,26)20-18(21)7-4-8-19(20)22/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOHMKJFRENWHAPC-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.26
Rot. Bonds6

About 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine

1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine (PubChem CID 55831490) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine
PubChem CID55831490
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1cccc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C20H24F2N2O3S/c1-15(2)27-17-6-3-5-16(13-17)14-23-9-11-24(12-10-23)28(25,26)20-18(21)7-4-8-19(20)22/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyOHMKJFRENWHAPC-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-(2,6-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 56777767
(1S)-1-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039287
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
1-[3-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 4282416
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
trans-(1R,2S)-2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 166296635

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine (CID 55831490) is 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine is CC(C)Oc1cccc(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine?
The InChIKey is OHMKJFRENWHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-15(2)27-17-6-3-5-16(13-17)14-23-9-11-24(12-10-23)28(25,26)20-18(21)7-4-8-19(20)22/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine?
1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine has a molecular weight of 410.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-[(3-propan-2-yloxyphenyl)methyl]piperazine is sourced from PubChem (CID 55831490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).