1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

C17H18F2N2O3S — CID 3700743

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-24-14-4-2-3-13(11-14)20-7-9-21(10-8-20)25(22,23)15-5-6-16(18)17(19)12-15/h2-6,11-12H,7-10H2,1H3
InChIKeyJCBWSYKQDIEQPE-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.48
Rot. Bonds4

About 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine

1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (PubChem CID 3700743) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
PubChem CID3700743
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-24-14-4-2-3-13(11-14)20-7-9-21(10-8-20)25(22,23)15-5-6-16(18)17(19)12-15/h2-6,11-12H,7-10H2,1H3
InChIKeyJCBWSYKQDIEQPE-UHFFFAOYSA-N
XLogP2.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 46557463
N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168465
6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 46283484
7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-4H-1,4-benzothiazin-3-one
CID 126458768
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 4828425
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine (CID 3700743) is 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The InChIKey is JCBWSYKQDIEQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-24-14-4-2-3-13(11-14)20-7-9-21(10-8-20)25(22,23)15-5-6-16(18)17(19)12-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine?
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine has a molecular weight of 368.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3700743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).