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Chemical ID: 6213768
Chemical ID:
6213768
Name [?]:
4-fluoro-N-[4-oxo-3-(p-tolylamino)-1-naphthylidene]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)NC2=CC(=NS(=O)(=O)c3ccc(cc3)F)c4ccccc4C2=O
InChi [?]:
InChI=1/C23H17FN2O3S/c1-15-6-10-17(11-7-15)25-22-14-21(19-4-2-3-5-20(19)23(22)27)26-30(28,29)18-12-8-16(24)9-13-18/h2-14,25H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,24,27,3,7,18,20,4,6,17,21,10,2,19,5,16,23,28,11,9,29,22,8,12,30,14,15,13/E:(6,7)(8,9)(10,11)(12,13)(28,29)/CRV:30.6/rA:30nCCCCCCCNCCCNSOOCCCCCCFCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;w11;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;s11;s23;d24;s25;d26;d23s27;s9s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17FN2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6003 |
Area: | 613.919 |
Solvation: | -3.74762 |
Coulombic: | -32.2188 |
Bond Count [?]
All: | 33 |
Single: | 19 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 420.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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