Chemical ID: 4040738

CN1CCN(CC1)S(=O)(=O)c2ccc(cc2Cl)Cl
Chemical ID:
4040738
Name [?]:
1-(2,4-dichlorophenyl)sulfonyl-4-methyl-piperazine
SMILES [?]:
CN1CCN(CC1)S(=O)(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C11H14Cl2N2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,3,7,4,6,15,14,16,11,18,17,2,5,9,10,8/E:(4,5)(6,7)(16,17)/CRV:18.6/rA:18nCNCCNCCSOOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14Cl2N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.67884
Area:440.545
Solvation:-2.33477
Coulombic:-12.593
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.213
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.0
LogP (Chemaxon):2.01

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