ChemDB: Chemical Search
Download
Chemical ID: 7334350
Chemical ID:
7334350
Name [?]:
N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-(3,4-dimethylphenyl)sulfonylamino-propanamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)CCNS(=O)(=O)c2ccc(c(c2)C)C
InChi [?]:
InChI=1/C22H31N3O5S2/c1-6-25(7-2)32(29,30)21-15-19(10-8-17(21)4)24-22(26)12-13-23-31(27,28)20-11-9-16(3)18(5)14-20/h8-11,14-15,23H,6-7,12-13H2,1-5H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,5,32,15,31,2,4,13,27,12,26,19,20,30,10,28,14,29,11,25,9,17,21,16,3,18,23,24,7,8,22,6/E:(1,2)(6,7)(27,28)(29,30)/CRV:31.6,32.6/rA:32nCCNCCSOOCCCCCCCNCOCCNSOOCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s11;s16;d17;s17;s19;s20;s21;d22;d22;s22;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H31N3O5S2 |
All Atoms: | 63 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4681 |
Area: | 710.552 |
Solvation: | -4.29565 |
Coulombic: | -38.9637 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 481.631 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.4 |
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 |
---|