Chemical ID: 7285965

Cc1ccc(c(c1)S(=O)(=O)NCCN(C)C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue