ChemDB: Chemical Search
Download
Chemical ID: 6155726
Chemical ID:
6155726
Name [?]:
2,5-dichloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)Cc2nnc(s2)NS(=O)(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2N3O4S2/c1-25-13-6-3-10(7-14(13)26-2)8-16-20-21-17(27-16)22-28(23,24)15-9-11(18)4-5-12(15)19/h3-7,9H,8H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,24,25,4,7,11,22,6,23,26,3,8,21,12,15,28,27,13,14,17,19,20,2,9,16,18/E:(23,24)/CRV:28.6/rA:28nCOCCCCCCOCCCNNCSNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s12s15;s15;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2N3O4S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80463 |
Area: | 642.185 |
Solvation: | -6.25001 |
Coulombic: | -30.6305 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 460.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.19 |
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 |
---|