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Chemical ID: 7092479
Chemical ID:
7092479
Name [?]:
2-[(4-methyl-1-piperidyl)sulfonyl]aniline
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccccc2N
InChi [?]:
InChI=1/C12H18N2O2S/c1-10-6-8-14(9-7-10)17(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,4,6,2,16,11,17,5,9,10,8/E:(6,7)(8,9)(15,16)/CRV:17.6/rA:17nCCCCNCCSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2S |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19809 |
Area: | 400.855 |
Solvation: | -1.82328 |
Coulombic: | -25.259 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.35 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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