Chemical ID: 7117438

Cc1cc(nc(n1)[N-]S(=O)(=O)c2ccc(cc2)N)C
Chemical ID:
7117438
Name [?]:
(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)-azanide
SMILES [?]:
Cc1cc(nc(n1)[N-]S(=O)(=O)c2ccc(cc2)N)C
InChi [?]:
InChI=1/C12H13N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,19,14,16,13,17,3,2,4,15,12,6,18,7,5,8,10,11,9/E:(1,2)(3,4)(5,6)(8,9)(14,15)(17,18)/CRV:16-1,19.6/rA:19nCCCCNCNN-SOOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N4O2S-
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-26.5655
Area:458.225
Solvation:-38.0212
Coulombic:5.23361
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.323
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.3
LogP (Chemaxon):0.5

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Descriptor Annotations

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