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Chemical ID: 6584862
Chemical ID:
6584862
Name [?]:
2-chloro-4,5-difluoro-N-[2-(4-fluorophenyl)sulfonylaminophenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cc(c(cc2Cl)F)F)NS(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H12ClF3N2O3S/c20-14-10-16(23)15(22)9-13(14)19(26)24-17-3-1-2-4-18(17)25-29(27,28)12-7-5-11(21)6-8-12/h1-10,25H,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,25,27,24,28,11,14,26,23,10,15,12,13,5,4,8,16,29,18,17,7,19,9,21,22,20/E:(5,6)(7,8)(27,28)/CRV:29.6/rA:29nCCCCCCNCOCCCCCCClFFNSOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s12;s4;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12ClF3N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39362 |
Area: | 584.329 |
Solvation: | -6.2146 |
Coulombic: | -42.7812 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 440.824 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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