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Chemical ID: 4484252
Chemical ID:
4484252
Name [?]:
4-fluoro-N-[4-(4-fluoro-2-methyl-phenyl)sulfonylaminophenyl]-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1S(=O)(=O)Nc2ccc(cc2)NS(=O)(=O)c3ccc(cc3C)F)F
InChi [?]:
InChI=1/C20H18F2N2O4S2/c1-13-11-15(21)3-9-19(13)29(25,26)23-17-5-7-18(8-6-17)24-30(27,28)20-10-4-16(22)12-14(20)2/h3-12,23-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,5,24,13,17,14,16,6,23,3,26,2,27,4,25,12,15,7,22,30,29,11,18,9,10,20,21,8,19/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/CRV:29.6,30.6/rA:30nCCCCCCCSOONCCCCCCNSOOCCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18F2N2O4S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91211 |
Area: | 550.34 |
Solvation: | -4.84639 |
Coulombic: | -31.2261 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 452.497 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.38 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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