Chemical ID: 4369180

CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2Cl)Cl)Cl
Chemical ID:
4369180
Name [?]:
1-methyl-4-(2,3,4-trichlorophenyl)sulfonyl-piperazine
SMILES [?]:
CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C11H13Cl3N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,3,7,4,6,14,11,15,16,19,18,17,2,5,9,10,8/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCNCCNCCSOOCCCCCCClClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13Cl3N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.04193
Area:460.355
Solvation:-2.46696
Coulombic:-12.2395
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:343.657
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):2.53

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Descriptor Annotations

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