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Chemical ID: 4950653
Chemical ID:
4950653
Name [?]:
N,N-diethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2
InChi [?]:
InChI=1/C13H20N2O2S/c1-3-15(4-2)18(16,17)12-7-8-13-11(10-12)6-5-9-14-13/h7-8,10,14H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,15,10,11,17,14,13,9,12,18,3,7,8,6/E:(1,2)(3,4)(16,17)/CRV:18.6/rA:18nCCNCCSOOCCCCCCCCCN/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8638 |
Area: | 434.113 |
Solvation: | -1.98902 |
Coulombic: | -18.9867 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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