Chemical ID: 4785130

CCc1nnc(s1)NS(=O)(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
4785130
Name [?]:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILES [?]:
CCc1nnc(s1)NS(=O)(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C11H10F3N3O3S2/c1-2-9-15-16-10(21-9)17-22(18,19)8-5-3-7(4-6-8)20-11(12,13)14/h3-6H,2H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,16,13,17,15,12,3,6,19,20,21,22,4,5,8,10,11,18,7,9/E:(3,4)(5,6)(12,13,14)(18,19)/CRV:22.6/rA:22nCCCNNCSNSOOCCCCCCOCFFF/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3N3O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.58068
Area:489.074
Solvation:-2.64618
Coulombic:-48.3754
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.343
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):2.1

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Descriptor Annotations

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