Chemical ID: 7219028

CCn1cc(cn1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
Chemical ID:
7219028
Name [?]:
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine
SMILES [?]:
CCn1cc(cn1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
InChi [?]:
InChI=1/C13H20N6O4S2/c1-3-17-11-13(9-15-17)25(22,23)19-6-4-18(5-7-19)24(20,21)12-8-14-16(2)10-12/h8-11H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,13,15,12,16,21,6,24,4,20,5,22,7,23,3,14,11,18,19,9,10,17,8/E:(4,5)(6,7)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCNCCCNSOONCCNCCSOOCCNNCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;d17;s17;s20;d21;s22;d20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N6O4S2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.33834
Area:564.947
Solvation:-4.78533
Coulombic:-20.264
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.468
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.79
LogP (Chemaxon):-1.12

Name Annotations

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Descriptor Annotations

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