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Chemical ID: 6188333
Chemical ID:
6188333
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)NS(=O)(=O)c2ccc3c(c2)[nH]c(=O)c(=O)[nH]3
InChi [?]:
InChI=1/C15H12ClN3O4S/c1-8-2-3-9(6-11(8)16)19-24(22,23)10-4-5-12-13(7-10)18-15(21)14(20)17-12/h2-7,19H,1H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,6,18,2,5,13,7,16,17,22,20,8,24,19,9,23,21,11,12,10/E:(22,23)/CRV:24.6/rA:24nCCCCCCCClNSOOCCCCCCNCOCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;d22;s16s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClN3O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58227 |
Area: | 525.984 |
Solvation: | -3.56732 |
Coulombic: | -56.4249 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 365.792 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.54 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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