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Chemical ID: 6710044
Chemical ID:
6710044
Name [?]:
4-methoxy-N-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-benzenesulfonamide
SMILES [?]:
CC1(CC(CC([NH2+]1)(C)C)NS(=O)(=O)c2ccc(cc2)OC)C
InChi [?]:
InChI=1/C16H26N2O3S/c1-15(2)10-12(11-16(3,4)18-15)17-22(19,20)14-8-6-13(21-5)7-9-14/h6-9,12,17-18H,10-11H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,22,8,9,21,16,18,15,19,3,5,4,17,14,2,6,10,7,12,13,20,11/E:(1,2,3,4)(6,7)(8,9)(10,11)(15,16)(19,20)/CRV:22.6/rA:22nCCCCCCN+CCNSOOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27N2O3S+ |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.4962 |
Area: | 506.741 |
Solvation: | -34.1647 |
Coulombic: | 16.3225 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.463 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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