Chemical ID: 7219050

CCn1cc(c(n1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3c([nH]nc3C)C
Chemical ID:
7219050
Name [?]:
1-[(3,5-dimethyl-1H-pyrazol-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)c3c([nH]nc3C)C
InChi [?]:
InChI=1/C15H24N6O4S2/c1-5-19-10-14(11(2)18-19)26(22,23)20-6-8-21(9-7-20)27(24,25)15-12(3)16-17-13(15)4/h10H,5-9H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,26,27,2,13,17,14,16,4,6,25,22,5,21,24,23,7,3,12,15,10,11,19,20,9,18/E:(3,4)(6,7)(8,9)(12,13)(16,17)(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;d21;s22;s23;s21d24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N6O4S2
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1131
Area:574.235
Solvation:-4.2428
Coulombic:-26.2535
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:-0.07
LogP (Chemaxon):-0.71

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Descriptor Annotations

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