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Chemical ID: 4209093
Chemical ID:
4209093
Name [?]:
4-(benzenesulfonamido)-N-(2,5-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3)C
InChi [?]:
InChI=1/C20H20N2O4S2/c1-15-8-9-16(2)20(14-15)22-28(25,26)19-12-10-17(11-13-19)21-27(23,24)18-6-4-3-5-7-18/h3-14,21-22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,26,23,27,3,4,14,16,13,17,7,2,5,15,22,12,6,18,8,20,21,10,11,19,9/E:(4,5)(6,7)(10,11)(12,13)(23,24)(25,26)/CRV:27.6,28.6/rA:28nCCCCCCCNSOOCCCCCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.215 |
Area: | 568.107 |
Solvation: | -2.98769 |
Coulombic: | -26.0879 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.516 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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