Chemical ID: 4524584

Cc1c(cc(cc1S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4524584
Name [?]:
2-methyl-3,5-dinitro-benzenesulfonamide
SMILES [?]:
Cc1c(cc(cc1S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C7H7N3O6S/c1-4-6(10(13)14)2-5(9(11)12)3-7(4)17(8,15)16/h2-3H,1H3,(H2,8,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,6,2,5,3,7,11,12,15,13,14,16,17,9,10,8/E:(11,12)(13,14)(15,16)/CRV:9.5,10.5,17.6/rA:17nCCCCCCCSOONN+OO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s5;d12;s12;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O6S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-4.63283
Area:400.15
Solvation:-14.6366
Coulombic:-29.7105
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.213
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:0.24
LogP (Chemaxon):1.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue