Chemical ID: 7219681

Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)Nc2ncn(n2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
7219681
Name [?]:
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide
SMILES [?]:
Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)Nc2ncn(n2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2F2N6O2S/c1-8-13(9(2)25(21-8)14(18)19)28(26,27)23-15-20-7-24(22-15)6-10-3-4-11(16)12(17)5-10/h3-5,7,14H,6H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,22,23,26,20,17,2,4,21,24,25,3,7,15,28,27,8,9,16,6,19,14,18,5,12,13,11/E:(18,19)(26,27)/CRV:28.6/rA:28nCCCCNNCFFCSOONCNCNNCCCCCCCClCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;s4;s3;d11;d11;s11;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2F2N6O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.96927
Area:597.154
Solvation:-4.95957
Coulombic:-39.6621
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:451.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):2.88

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