ChemDB: Chemical Search
Download
Chemical ID: 4968306
Chemical ID:
4968306
Name [?]:
4-amino-N-(4-propylpyrimidin-2-yl)-benzenesulfonamide
SMILES [?]:
CCCc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C13H16N4O2S/c1-2-3-11-8-9-15-13(16-11)17-20(18,19)12-6-4-10(14)5-7-12/h4-9H,2-3,14H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,18,15,19,5,6,17,4,14,8,20,7,9,10,12,13,11/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCNCNNSOOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N4O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23563 |
Area: | 475.77 |
Solvation: | -2.65863 |
Coulombic: | -39.8485 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.358 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.36 |
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 |
---|