Chemical ID: 6739037

Cc1cc(cc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C)C
Chemical ID:
6739037
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3,5-dimethylphenyl)-azanide
SMILES [?]:
Cc1cc(cc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C)C
InChi [?]:
InChI=1/C18H19N2O3S/c1-12-8-13(2)10-16(9-12)19-24(22,23)17-4-5-18-15(11-17)6-7-20(18)14(3)21/h4-5,8-11H,6-7H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,23,13,14,18,19,3,7,5,17,2,4,21,16,6,12,15,8,20,22,10,11,9/E:(1,2)(9,10)(12,13)(22,23)/CRV:19-1,24.6/rA:24nCCCCCCCN-SOOCCCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s20;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N2O3S-
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-23.2477
Area:539.262
Solvation:-36.7292
Coulombic:13.4725
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.421
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):2.62

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