Chemical ID: 5131215

Cc1cc(c(cc1C)Br)S(=O)(=O)N2CCN(CC2)C
Chemical ID:
5131215
Name [?]:
1-(2-bromo-4,5-dimethyl-phenyl)sulfonyl-4-methyl-piperazine
SMILES [?]:
Cc1cc(c(cc1C)Br)S(=O)(=O)N2CCN(CC2)C
InChi [?]:
InChI=1/C13H19BrN2O2S/c1-10-8-12(14)13(9-11(10)2)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:8,1,19,15,17,14,18,6,3,7,2,5,4,9,16,13,11,12,10/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCBrSOONCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;d10;d10;s10;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19BrN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.32564
Area:452.386
Solvation:-1.98402
Coulombic:-12.6051
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:347.272
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.42
LogP (Chemaxon):2.7

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Descriptor Annotations

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