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Chemical ID: 7285965
Chemical ID:
7285965
Name [?]:
N-(2-dimethylaminoethyl)-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)NCCN(C)C)C
InChi [?]:
InChI=1/C12H20N2O2S/c1-10-5-6-11(2)12(9-10)17(15,16)13-7-8-14(3)4/h5-6,9,13H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,15,16,3,4,12,13,7,2,5,6,11,14,9,10,8/E:(3,4)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;s14;s5;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2O2S |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13029 |
Area: | 446.66 |
Solvation: | -2.0362 |
Coulombic: | -18.0083 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.39 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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