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Chemical ID: 4118474
Chemical ID:
4118474
Name [?]:
N,N-dimethylindoline-5-sulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2
InChi [?]:
InChI=1/C10H14N2O2S/c1-12(2)15(13,14)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,13,14,12,11,7,10,15,2,5,6,4/E:(1,2)(13,14)/CRV:15.6/rA:15nCNCSOOCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40152 |
Area: | 382.639 |
Solvation: | -2.16445 |
Coulombic: | -18.0875 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.6 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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