ChemDB: Chemical Search
Download
Chemical ID: 6123382
Chemical ID:
6123382
Name [?]:
5-(benzenesulfonamido)-N-(m-tolyl)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H15N5O3S/c1-11-6-5-7-12(10-11)17-16(22)14-15(19-21-18-14)20-25(23,24)13-8-3-2-4-9-13/h2-10H,1H3,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,3,5,21,25,7,2,6,20,11,12,9,8,15,13,16,14,10,18,19,17/E:(3,4)(8,9)(23,24)/CRV:25.6/rA:25nCCCCCCCNCOCCNNNNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s13;s11d14;s12;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8205 |
Area: | 543.304 |
Solvation: | -2.7621 |
Coulombic: | -44.6209 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.17 |
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 |
---|