Chemical ID: 7219584

Cc1cccc(c1)Cn2cnc(n2)NS(=O)(=O)c3c(nn(c3C)C(F)F)C
Chemical ID:
7219584
Name [?]:
1-(difluoromethyl)-3,5-dimethyl-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-pyrazole-4-sulfonamide
SMILES [?]:
Cc1cccc(c1)Cn2cnc(n2)NS(=O)(=O)c3c(nn(c3C)C(F)F)C
InChi [?]:
InChI=1/C16H18F2N6O2S/c1-10-5-4-6-13(7-10)8-23-9-19-16(21-23)22-27(25,26)14-11(2)20-24(12(14)3)15(17)18/h4-7,9,15H,8H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,23,4,3,5,7,8,10,2,19,22,6,18,24,12,25,26,11,20,13,14,9,21,16,17,15/E:(17,18)(25,26)/CRV:27.6/rA:27nCCCCCCCCNCNCNNSOOCCNNCCCFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s12;s14;d15;d15;s15;s18;d19;s20;d18s21;s22;s21;s24;s24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18F2N6O2S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.15587
Area:559.972
Solvation:-4.84344
Coulombic:-39.2687
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.416
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.65
LogP (Chemaxon):2.31

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Descriptor Annotations

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