Chemical ID: 6213768

Cc1ccc(cc1)NC2=CC(=NS(=O)(=O)c3ccc(cc3)F)c4ccccc4C2=O
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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