ChemDB: Chemical Search
Download
Chemical ID: 3907887
Chemical ID:
3907887
Name [?]:
N-[5-[(5-chloro-2-pyridyl)sulfamoyl]-2,4-dimethoxy-phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)Nc2ccc(cn2)Cl
InChi [?]:
InChI=1/C15H16ClN3O5S/c1-9(20)18-11-6-14(13(24-3)7-12(11)23-2)25(21,22)19-15-5-4-10(16)8-17-15/h4-8H,1-3H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,14,21,20,6,9,23,2,22,5,10,8,7,19,25,24,4,18,3,16,17,11,13,15/E:(21,22)/CRV:25.6/rA:25nCCONCCCCCCOCOCSOONCCCCCNCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s7;d15;d15;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClN3O5S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42849 |
Area: | 555.704 |
Solvation: | -6.4641 |
Coulombic: | -48.2222 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.823 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.33 |
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 |
---|