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Chemical ID: 6388875
Chemical ID:
6388875
Name [?]:
4-fluoro-N-[4-(p-tolyl)thiazol-2-yl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NS(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H13FN2O2S2/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)19-23(20,21)14-8-6-13(17)7-9-14/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,19,21,18,22,9,2,5,20,17,8,11,23,12,13,15,16,10,14/E:(2,3)(4,5)(6,7)(8,9)(20,21)/CRV:23.6/rA:23nCCCCCCCCCSCNNSOOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13FN2O2S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66107 |
Area: | 511.553 |
Solvation: | -3.12776 |
Coulombic: | -23.14 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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