ChemDB: Chemical Search
Download
Chemical ID: 6380766
Chemical ID:
6380766
Name [?]:
N-[4-(p-tolyl)thiazol-2-yl]benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H14N2O2S2/c1-12-7-9-13(10-8-12)15-11-21-16(17-15)18-22(19,20)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,7,4,6,9,2,5,17,8,11,12,13,15,16,10,14/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:22.6/rA:22nCCCCCCCCCSCNNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4146 |
Area: | 504.028 |
Solvation: | -2.18607 |
Coulombic: | -20.8109 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.99 |
LogP (Chemaxon): | 1.32 |
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 |
---|