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Chemical ID: 4686955
Chemical ID:
4686955
Name [?]:
N-benzyl-N,2-dimethyl-propane-1-sulfonamide
SMILES [?]:
CC(C)CS(=O)(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C12H19NO2S/c1-11(2)10-16(14,15)13(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,9,14,13,15,12,16,10,4,2,11,8,6,7,5/E:(1,2)(5,6)(7,8)(14,15)/CRV:16.6/rA:16cCCCCSOONCCCCCCCC/rB:s1;s2;s2;s4;d5;d5;s5;s8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96692 |
Area: | 408.052 |
Solvation: | -2.23437 |
Coulombic: | -7.66685 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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