ChemDB: Chemical Search
Download
Chemical ID: 6188334
Chemical ID:
6188334
Name [?]:
N-(3,4-difluorophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILES [?]:
c1cc(c(cc1NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3)F)F
InChi [?]:
InChI=1/C14H9F2N3O4S/c15-9-3-1-7(5-10(9)16)19-24(22,23)8-2-4-11-12(6-8)18-14(21)13(20)17-11/h1-6,19H,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,5,16,6,11,3,4,14,15,20,18,24,23,22,17,7,21,19,9,10,8/E:(22,23)/CRV:24.6/rA:24nCCCCCCNSOOCCCCCCNCOCONFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;d20;s14s20;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9F2N3O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54107 |
Area: | 486.41 |
Solvation: | -5.61918 |
Coulombic: | -61.9023 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 353.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.02 |
LogP (Chemaxon): | 1.66 |
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 |
---|