Chemical ID: 6739030

Cc1ccc(cc1C)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
Chemical ID:
6739030
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3,4-dimethylphenyl)-azanide
SMILES [?]:
Cc1ccc(cc1C)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C18H19N2O3S/c1-12-4-5-16(10-13(12)2)19-24(22,23)17-6-7-18-15(11-17)8-9-20(18)14(3)21/h4-7,10-11H,8-9H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,8,24,3,4,14,15,19,20,6,18,2,7,22,17,5,13,16,9,21,23,11,12,10/E:(22,23)/CRV:19-1,24.6/rA:24nCCCCCCCCN-SOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N2O3S-
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-23.2451
Area:540.62
Solvation:-36.7606
Coulombic:13.4615
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

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