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Chemical ID: 5113733
Chemical ID:
5113733
Name [?]:
4-(2-aminoethyl)-N,N-diethyl-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)CCN
InChi [?]:
InChI=1/C12H20N2O2S/c1-3-14(4-2)17(15,16)12-7-5-11(6-8-12)9-10-13/h5-8H,3-4,9-10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,10,14,15,16,12,9,17,3,7,8,6/E:(1,2)(3,4)(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCCNCCSOOCCCCCCCCN/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99249 |
Area: | 442.382 |
Solvation: | -2.06707 |
Coulombic: | -20.586 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.24 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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