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Chemical ID: 5607270
Chemical ID:
5607270
Name [?]:
2-amino-N-[5-(5-amino-2-methyl-phenyl)sulfonylamino-2,3-dimethyl-phenyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)N)S(=O)(=O)Nc2cc(cc(c2C)C)NS(=O)(=O)c3cc(ccc3C)N
InChi [?]:
InChI=1/C22H26N4O4S2/c1-13-5-8-21(19(24)9-13)31(27,28)26-20-12-18(10-15(3)16(20)4)25-32(29,30)22-11-17(23)7-6-14(22)2/h5-12,25-26H,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,20,19,3,29,28,4,7,16,26,14,2,30,17,18,27,15,6,13,5,25,32,8,21,12,10,11,23,24,9,22/E:(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCCCCCCNSOONCCCCCCCCNSOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s17;s15;s21;d22;d22;s22;s25;d26;s27;d28;d25s29;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N4O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7812 |
Area: | 610.778 |
Solvation: | -3.48824 |
Coulombic: | -57.1162 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 474.598 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 8 |
XLogP: | 2.9 |
LogP (Chemaxon): | 4.12 |
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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