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Chemical ID: 5541888
Chemical ID:
5541888
Name [?]:
4-(benzenesulfonamido)-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C21H20N2O4S/c1-2-27-19-14-12-17(13-15-19)22-21(24)16-8-10-18(11-9-16)23-28(25,26)20-6-4-3-5-7-20/h3-15,23H,2H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,14,18,15,17,6,8,5,9,13,7,16,4,23,11,10,19,12,21,22,3,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(25,26)/CRV:28.6/rA:28nCCOCCCCCCNCOCCCCCCNSOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9925 |
Area: | 613.104 |
Solvation: | -4.33512 |
Coulombic: | -42.1894 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.461 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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