Chemical ID: 7218885

Cc1c(cnn1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
Chemical ID:
7218885
Name [?]:
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine
SMILES [?]:
Cc1c(cnn1C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3)C
InChi [?]:
InChI=1/C13H20N6O4S2/c1-11-13(9-15-17(11)3)25(22,23)19-6-4-18(5-7-19)24(20,21)12-8-14-16(2)10-12/h8-10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,7,13,15,12,16,21,4,24,2,20,3,22,5,23,6,14,11,18,19,9,10,17,8/E:(4,5)(6,7)(20,21)(22,23)/CRV:24.6,25.6/rA:25nCCCCNNCSOONCCNCCSOOCCNNCC/rB:s1;d2;s3;d4;s2s5;s6;s3;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:8.92637
Area:549.995
Solvation:-4.82351
Coulombic:-20.0142
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.468
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.98
LogP (Chemaxon):-1.45

Name Annotations

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Descriptor Annotations

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