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Chemical ID: 6739051
Chemical ID:
6739051
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(m-tolyl)azanide
SMILES [?]:
Cc1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C17H17N2O3S/c1-12-4-3-5-15(10-12)18-23(21,22)16-6-7-17-14(11-16)8-9-19(17)13(2)20/h3-7,10-11H,8-9H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,23,4,3,5,13,14,18,19,7,17,2,21,16,6,12,15,8,20,22,10,11,9/E:(21,22)/CRV:18-1,23.6/rA:23nCCCCCCCN-SOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N2O3S- |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.6789 |
Area: | 516.553 |
Solvation: | -36.5927 |
Coulombic: | 13.1069 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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