Chemical ID: 7219380

Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
7219380
Name [?]:
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C13H12Cl2N6O2S/c1-20-7-10(5-17-20)24(22,23)19-13-16-8-21(18-13)6-9-2-3-11(14)12(15)4-9/h2-5,7-8H,6H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,22,5,16,3,13,17,4,20,21,11,24,23,12,6,15,10,2,14,8,9,7/E:(22,23)/CRV:24.6/rA:24nCNCCCNSOONCNCNNCCCCCCCClCl/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2N6O2S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3613
Area:565.974
Solvation:-3.78806
Coulombic:-28.2332
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:387.245
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):1.84

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