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Chemical ID: 6739067
Chemical ID:
6739067
Name [?]:
o-tolyl-(1-propanoylindolin-5-yl)sulfonyl-azanide
SMILES [?]:
CCC(=O)N1CCc2c1ccc(c2)S(=O)(=O)[N-]c3ccccc3C
InChi [?]:
InChI=1/C18H19N2O3S/c1-3-18(21)20-11-10-14-12-15(8-9-17(14)20)24(22,23)19-16-7-5-4-6-13(16)2/h4-9,12H,3,10-11H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,2,21,20,22,19,11,10,7,6,13,23,8,12,18,9,3,17,5,4,15,16,14/E:(22,23)/CRV:19-1,24.6/rA:24nCCCONCCCCCCCCSOON-CCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;d9;s10;d11;d8s12;s12;d14;d14;s14;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N2O3S- |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.738 |
Area: | 539.553 |
Solvation: | -36.2268 |
Coulombic: | 12.7497 |
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: | 2.28 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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