ChemDB: Chemical Search
Download
Chemical ID: 6441205
Chemical ID:
6441205
Name [?]:
2-amino-N-[5-(5-amino-2-methyl-phenyl)sulfonylamino-2,3-dimethyl-phenyl]-5-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2cc(cc(c2C)C)NS(=O)(=O)c3cc(ccc3C)N)N
InChi [?]:
InChI=1/C22H26N4O4S2/c1-13-5-8-19(24)22(9-13)32(29,30)26-20-12-18(10-15(3)16(20)4)25-31(27,28)21-11-17(23)7-6-14(21)2/h5-12,25-26H,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,19,18,3,28,27,4,7,15,25,13,2,29,16,17,26,14,5,12,24,6,31,32,20,11,22,23,9,10,21,8/E:(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCCCCCCSOONCCCCCCCCNSOOCCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;s14;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s29;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N4O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8484 |
Area: | 611.319 |
Solvation: | -3.43455 |
Coulombic: | -57.1772 |
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|