ChemDB: Chemical Search
Download
Chemical ID: 5155478
Chemical ID:
5155478
Name [?]:
N-benzyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILES [?]:
c1ccc(cc1)CNS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
InChi [?]:
InChI=1/C15H13N3O4S/c19-14-15(20)18-13-8-11(6-7-12(13)17-14)23(21,22)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,17,7,4,12,15,16,21,19,8,23,18,22,20,10,11,9/E:(2,3)(4,5)(21,22)/CRV:23.6/rA:23nCCCCCCCNSOOCCCCCCNCOCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;d21;s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00529 |
Area: | 514.194 |
Solvation: | -3.84955 |
Coulombic: | -57.0381 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.56 |
LogP (Chemaxon): | 1.48 |
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 |
---|