Chemical ID: 7260272

CCN1CCN(CC1)S(=O)(=O)c2ccccc2Br
Chemical ID:
7260272
Name [?]:
1-(2-bromophenyl)sulfonyl-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)S(=O)(=O)c2ccccc2Br
InChi [?]:
InChI=1/C12H17BrN2O2S/c1-2-14-7-9-15(10-8-14)18(16,17)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,4,8,5,7,17,12,18,3,6,10,11,9/E:(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCNCCNCCSOOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17BrN2O2S
All Atoms:35
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.51692
Area:426.731
Solvation:-2.15135
Coulombic:-13.0369
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.246
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):2.11

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Experimental Annotations

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Descriptor Annotations

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