Chemical ID: 7219534

Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(cc3Cl)F
Chemical ID:
7219534
Name [?]:
N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-pyrazole-4-sulfonamide
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)Nc2ncn(n2)Cc3ccc(cc3Cl)F
InChi [?]:
InChI=1/C13H12ClFN6O2S/c1-20-7-11(5-17-20)24(22,23)19-13-16-8-21(18-13)6-9-2-3-10(15)4-12(9)14/h2-5,7-8H,6H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,21,5,16,3,13,17,20,4,22,11,23,24,12,6,15,10,2,14,8,9,7/E:(22,23)/CRV:24.6/rA:24nCNCCCNSOONCNCNNCCCCCCCClF/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClFN6O2S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.67786
Area:530.682
Solvation:-4.58919
Coulombic:-30.7458
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:370.791
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):1.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue