Chemical ID: 5362777

CN(CC(=O)NN=Cc1cc(ccc1Cl)[N+](=O)[O-])S(=O)(=O)c2cc(ccc2OC)OC
Chemical ID:
5362777
Name [?]:
N-[(2-chloro-5-nitro-phenyl)methyleneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
CN(CC(=O)NN=Cc1cc(ccc1Cl)[N+](=O)[O-])S(=O)(=O)c2cc(ccc2OC)OC
InChi [?]:
InChI=1/C18H19ClN4O7S/c1-22(31(27,28)17-9-14(29-2)5-7-16(17)30-3)11-18(24)21-20-10-12-8-13(23(25)26)4-6-15(12)19/h4-10H,11H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,31,29,12,25,13,26,10,23,8,3,9,11,24,14,27,22,4,15,7,6,2,16,5,17,18,20,21,30,28,19/E:(25,26)(27,28)/CRV:23.5,31.6/rA:31cCNCCONNCCCCCCCClN+OO-SOOCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;w7;s8;s9;d10;s11;d12;d9s13;s14;s11;d16;s16;s2;d19;d19;s19;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN4O7S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:2.79929
Area:662.796
Solvation:-13.7706
Coulombic:-47.51
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:470.885
H-Bond Donors:1
H-Bond Acceptors:11
XLogP:3.07
LogP (Chemaxon):2.36

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