ChemDB: Chemical Search
Download
Chemical ID: 6582805
Chemical ID:
6582805
Name [?]:
4-acetamido-N-(3-sulfamoylphenyl)-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)S(=O)(=O)N
InChi [?]:
InChI=1/C15H15N3O4S/c1-10(19)17-12-7-5-11(6-8-12)15(20)18-13-3-2-4-14(9-13)23(16,21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H2,16,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,7,9,6,10,19,2,8,5,14,18,11,23,4,13,3,12,21,22,20/E:(5,6)(7,8)(21,22)/CRV:23.6/rA:23nCCONCCCCCCCONCCCCCCSOON/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81679 |
Area: | 528.978 |
Solvation: | -4.40766 |
Coulombic: | -55.8763 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.363 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.71 |
LogP (Chemaxon): | 1.06 |
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 |
---|