1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine

C16H17FN2O4S2 — CID 1151435

IUPAC1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O4S2/c17-14-6-8-16(9-7-14)25(22,23)19-12-10-18(11-13-19)24(20,21)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyWDTFZVMCCWUMRG-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.52
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine

1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 1151435) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID1151435
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O4S2/c17-14-6-8-16(9-7-14)25(22,23)19-12-10-18(11-13-19)24(20,21)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyWDTFZVMCCWUMRG-UHFFFAOYSA-N
XLogP1.52
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis[(2,6-difluorophenyl)sulfonyl]piperazine
CID 25243724
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
1,4-Bis(phenylsulfonyl)tetrahydropyrazine-2,5-dione
CID 12037467
1,4-Bis{[2-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 1190452
1,4-Bis(benzenesulfonyl)piperazin-2-one
CID 1214431
1-[(2,5-Difluorophenyl)sulfonyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
CID 6466312
1,4-Bis[(4-fluorophenyl)sulfonyl]piperazine-2,5-dione
CID 145975098
1-(Ethylsulfonyl)-4-[(4-fluorophenyl)sulfonyl]piperazine
CID 719621
2-fluoro-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 16245541
1,4-Bis(phenylsulfonyl)-1,4-diazepane
CID 227136

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine (CID 1151435) is 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is WDTFZVMCCWUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c17-14-6-8-16(9-7-14)25(22,23)19-12-10-18(11-13-19)24(20,21)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine?
1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 384.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1151435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).