Chemical ID: 7219206

CCn1cc(c(n1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3C)C
Chemical ID:
7219206
Name [?]:
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine
SMILES [?]:
CCn1cc(c(n1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cnn(c3C)C
InChi [?]:
InChI=1/C15H24N6O4S2/c1-5-19-11-15(12(2)17-19)27(24,25)21-8-6-20(7-9-21)26(22,23)14-10-16-18(4)13(14)3/h10-11H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,26,27,2,14,16,13,17,22,4,6,25,21,5,23,7,24,3,15,12,19,20,10,11,18,9/E:(6,7)(8,9)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCCNCCCNCSOONCCNCCSOOCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;d18;d18;s18;s21;d22;s23;d21s24;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N6O4S2
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.91094
Area:578.093
Solvation:-4.54139
Coulombic:-20.6468
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.521
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.41
LogP (Chemaxon):-0.93

Name Annotations

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Descriptor Annotations

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