ChemDB: Chemical Search
Download
Chemical ID: 6469561
Chemical ID:
6469561
Name [?]:
2,4,6-trimethyl-N-[4-(o-tolylsulfamoyl)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C
InChi [?]:
InChI=1/C22H24N2O4S2/c1-15-13-17(3)22(18(4)14-15)30(27,28)23-19-9-11-20(12-10-19)29(25,26)24-21-8-6-5-7-16(21)2/h5-14,23-24H,1-4H3
InChi Info:
AuxInfo=1/0/N:29,1,28,30,4,5,3,6,14,16,13,17,26,24,25,2,27,23,15,12,7,22,18,8,10,11,20,21,9,19/E:(3,4)(9,10)(11,12)(13,14)(17,18)(25,26)(27,28)/CRV:29.6,30.6/rA:30nCCCCCCCNSOOCCCCCCNSOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1588 |
Area: | 603.986 |
Solvation: | -2.94085 |
Coulombic: | -25.9091 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 444.569 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.52 |
LogP (Chemaxon): | 5.04 |
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 |
---|