1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine

C16H15F3N2O4S2 — CID 6466312

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H15F3N2O4S2/c17-12-1-4-14(5-2-12)26(22,23)20-7-9-21(10-8-20)27(24,25)16-11-13(18)3-6-15(16)19/h1-6,11H,7-10H2
InChIKeyDYEGRVQNSOITMY-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.80
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine

1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 6466312) has the molecular formula C16H15F3N2O4S2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID6466312
Molecular FormulaC16H15F3N2O4S2
Molecular Weight420.43 g/mol
Exact Mass420.04
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H15F3N2O4S2/c17-12-1-4-14(5-2-12)26(22,23)20-7-9-21(10-8-20)27(24,25)16-11-13(18)3-6-15(16)19/h1-6,11H,7-10H2
InChIKeyDYEGRVQNSOITMY-UHFFFAOYSA-N
XLogP1.80
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.80
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
1,4-Bis(phenylsulfonyl)tetrahydropyrazine-2,5-dione
CID 12037467
1-(Benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1151435
1,4-Bis{[2-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 1190452
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
1-(3-Fluoro-benzenesulfonyl)-piperazine
CID 2106912
1-(2,4-Difluorobenzenesulfonyl)piperazine
CID 4962596

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine (CID 6466312) is 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is DYEGRVQNSOITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S2/c17-12-1-4-14(5-2-12)26(22,23)20-7-9-21(10-8-20)27(24,25)16-11-13(18)3-6-15(16)19/h1-6,11H,7-10H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine?
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 420.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 6466312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).