Chemical ID: 6739040

CCc1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
Chemical ID:
6739040
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3-ethylphenyl)-azanide
SMILES [?]:
CCc1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C18H19N2O3S/c1-3-14-5-4-6-16(11-14)19-24(22,23)17-7-8-18-15(12-17)9-10-20(18)13(2)21/h4-8,11-12H,3,9-10H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,2,5,4,6,14,15,19,20,8,18,22,3,17,7,13,16,9,21,23,11,12,10/E:(22,23)/CRV:19-1,24.6/rA:24nCCCCCCCCN-SOOCCCCCCCCNCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:-23.0554
Area:543.903
Solvation:-36.653
Coulombic:12.7692
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.421
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.7
LogP (Chemaxon):2.55

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