Chemical ID: 7219564

Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
Chemical ID:
7219564
Name [?]:
1-(1-methylpyrazol-4-yl)sulfonyl-4-(p-tolylsulfonyl)piperazine
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
InChi [?]:
InChI=1/C15H20N4O4S2/c1-13-3-5-14(6-4-13)24(20,21)18-7-9-19(10-8-18)25(22,23)15-11-16-17(2)12-15/h3-6,11-12H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,3,7,4,6,12,16,13,15,21,24,2,5,20,22,23,11,14,9,10,18,19,8,17/E:(3,4)(5,6)(7,8)(9,10)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCCCCCCSOONCCNCCSOOCCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;d17;s17;s20;d21;s22;d20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N4O4S2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.95778
Area:557.704
Solvation:-3.98483
Coulombic:-18.085
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.476
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.73
LogP (Chemaxon):0.73

Name Annotations

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Descriptor Annotations

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