Chemical ID: 7219482

Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)F
Chemical ID:
7219482
Name [?]:
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3cccc(c3)F
InChi [?]:
InChI=1/C13H13FN6O2S/c1-19-8-12(6-16-19)23(21,22)18-13-15-9-20(17-13)7-10-3-2-4-11(14)5-10/h2-6,8-9H,7H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,22,5,16,3,13,17,21,4,11,23,12,6,15,10,2,14,8,9,7/E:(21,22)/CRV:23.6/rA:23nCNCCCNSOONCNCNNCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13FN6O2S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.16687
Area:509.471
Solvation:-4.56991
Coulombic:-31.0586
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.346
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.28
LogP (Chemaxon):0.94

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