1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine

C12H17FN2O4S2 — CID 719621

IUPAC1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O4S2/c1-2-20(16,17)14-7-9-15(10-8-14)21(18,19)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyDCYCRBOAEJEWOU-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.48
Rot. Bonds4

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

1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 719621) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID719621
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O4S2/c1-2-20(16,17)14-7-9-15(10-8-14)21(18,19)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyDCYCRBOAEJEWOU-UHFFFAOYSA-N
XLogP0.48
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.48
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
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
N,N-diethyl-4-fluorobenzenesulfonamide
CID 669059
1-(Benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1151435
N,N-Diethyl-3-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 3214671
1-[(2,5-Difluorophenyl)sulfonyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
CID 6466312
2-fluoro-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 16245541
1-(3-Fluoro-benzenesulfonyl)-piperazine
CID 2106912
1-(2,4-Difluorobenzenesulfonyl)piperazine
CID 4962596
N-[2-(Diethylamino)ethyl]-2-Fluoranyl-Benzenesulfonamide
CID 2161439
2,5-Dimethyl-1,4-bis(phenylsulfonyl)piperazine
CID 258323

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (CID 719621) is 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is DCYCRBOAEJEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-2-20(16,17)14-7-9-15(10-8-14)21(18,19)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 336.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 719621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).