1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine

C20H18F2N2O4S2 — CID 25243723

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F2N2O4S2/c21-18-6-3-7-19(22)20(18)30(27,28)24-12-10-23(11-13-24)29(25,26)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
InChIKeyLLOHMBFPOYWAIL-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.81
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine

1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 25243723) has the molecular formula C20H18F2N2O4S2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID25243723
Molecular FormulaC20H18F2N2O4S2
Molecular Weight452.50 g/mol
Exact Mass452.07
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F2N2O4S2/c21-18-6-3-7-19(22)20(18)30(27,28)24-12-10-23(11-13-24)29(25,26)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2
InChIKeyLLOHMBFPOYWAIL-UHFFFAOYSA-N
XLogP2.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Naphthalene-2-sulfonyl)-piperazine
CID 703957
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
1-Methyl-4-(naphthalene-2-sulfonyl)piperazine
CID 872090
1-Ethyl-4-naphthalen-2-ylsulfonylpiperazine
CID 973966
1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
CID 1460183
1-naphthalen-2-ylsulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 2738343
1,4-Bis(2-naphthylsulfonyl)piperazine
CID 235633
(E)-3-(4-fluorophenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 2673966
1-(Ethylsulfonyl)-4-(2-naphthylsulfonyl)piperazine
CID 1317131
N-[3-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 262197
N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide
CID 1094974
4-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]sulfonyl}morpholine
CID 2235691

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine (CID 25243723) is 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is LLOHMBFPOYWAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S2/c21-18-6-3-7-19(22)20(18)30(27,28)24-12-10-23(11-13-24)29(25,26)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine?
1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 452.50 g/mol, XLogP of 2.81, 4 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-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 25243723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).