Chemical ID: 6940543

Cc1ccc(cc1)S(=O)(=O)N=C2C(=C(C(=O)C(=C2C)Br)Br)C
Chemical ID:
6940543
Name [?]:
N-(3,5-dibromo-2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N=C2C(=C(C(=O)C(=C2C)Br)Br)C
InChi [?]:
InChI=1/C15H13Br2NO3S/c1-8-4-6-11(7-5-8)22(20,21)18-14-9(2)12(16)15(19)13(17)10(14)3/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,22,3,7,4,6,2,18,13,5,17,14,12,15,20,21,11,16,9,10,8/E:(2,3)(4,5)(6,7)(9,10)(12,13)(16,17)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCCCOCCCBrBrC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;s12;d13;s14;d15;s15;s12d17;s18;s17;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Br2NO3S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7226
Area:510.199
Solvation:-2.03238
Coulombic:-15.8656
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:447.143
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):5.18

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