Chemical ID: 4240490

c1ccc(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccccc3F
Chemical ID:
4240490
Name [?]:
1,4-bis[(2-fluorophenyl)sulfonyl]piperazine
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccccc3F
InChi [?]:
InChI=1/C16H16F2N2O4S2/c17-13-5-1-3-7-15(13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-8-4-2-6-14(16)18/h1-8H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,23,2,22,6,24,3,21,12,16,13,15,5,25,4,20,7,26,11,14,9,10,18,19,8,17/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)(25,26)/CRV:25.6,26.6/rA:26nCCCCCCFSOONCCNCCSOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;d17;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F2N2O4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.65992
Area:529.938
Solvation:-4.58854
Coulombic:-22.811
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.438
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.12
LogP (Chemaxon):2.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue