1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine

C17H18F2N2O5S2 — CID 25243725

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C17H18F2N2O5S2/c1-26-13-5-7-14(8-6-13)27(22,23)20-9-11-21(12-10-20)28(24,25)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyWRROVDDBUYSEPX-UHFFFAOYSA-N
MW432.47 g/mol
LogP1.67
Rot. Bonds5

About 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine

1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 25243725) has the molecular formula C17H18F2N2O5S2 and a molecular weight of 432.47 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID25243725
Molecular FormulaC17H18F2N2O5S2
Molecular Weight432.47 g/mol
Exact Mass432.06
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C17H18F2N2O5S2/c1-26-13-5-7-14(8-6-13)27(22,23)20-9-11-21(12-10-20)28(24,25)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyWRROVDDBUYSEPX-UHFFFAOYSA-N
XLogP1.67
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
4-(4-Methoxy-benzenesulfonyl)-thiomorpholine
CID 747732
1-Ethyl-4-((4-(2-methoxyphenoxy)phenyl)sulfonyl)piperazine
CID 1190535
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine (CID 25243725) is 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is WRROVDDBUYSEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S2/c1-26-13-5-7-14(8-6-13)27(22,23)20-9-11-21(12-10-20)28(24,25)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 432.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 25243725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).