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Chemical ID: 6739040
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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