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Chemical ID: 4274860
Chemical ID:
4274860
Name [?]:
5-amino-N-[3-(5-amino-2-methyl-phenyl)sulfonylamino-4,5-dimethyl-phenyl]-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2cc(c(c(c2)NS(=O)(=O)c3cc(ccc3C)N)C)C)N
InChi [?]:
InChI=1/C22H26N4O4S2/c1-13-5-7-17(23)10-21(13)31(27,28)25-19-9-15(3)16(4)20(12-19)26-32(29,30)22-11-18(24)8-6-14(22)2/h5-12,25-26H,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,31,30,3,26,4,25,13,6,23,17,2,27,14,15,5,24,12,16,7,22,32,29,11,18,9,10,20,21,8,19/E:(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCCCCCCSOONCCCCCCNSOOCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s24;s15;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N4O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7474 |
Area: | 606.722 |
Solvation: | -3.42067 |
Coulombic: | -56.6059 |
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: | 1.62 |
LogP (Chemaxon): | 3.47 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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