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Chemical ID: 4785130
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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