1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

C17H19FN2O4S2 — CID 26527715

IUPAC1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O4S2/c18-16-8-4-5-9-17(16)26(23,24)20-12-10-19(11-13-20)25(21,22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVKDGWKUEFQBZSG-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.66
Rot. Bonds5

About 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine

1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 26527715) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID26527715
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O4S2/c18-16-8-4-5-9-17(16)26(23,24)20-12-10-19(11-13-20)25(21,22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVKDGWKUEFQBZSG-UHFFFAOYSA-N
XLogP1.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 167988550
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
4-benzylsulfonylpiperazine-1-carbaldehyde
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2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-benzylsulfonyl-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22208119
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
1-benzylsulfonyl-4-[2-(4-fluorophenyl)propan-2-yl]piperazine
CID 158871801
2-benzylsulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55770764
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
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CID 51169067

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine (CID 26527715) is 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is VKDGWKUEFQBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-16-8-4-5-9-17(16)26(23,24)20-12-10-19(11-13-20)25(21,22)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine?
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 398.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 26527715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).