Chemical ID: 7354490

CCN(CC)CCNS(=O)(=O)c1c(cc(cc1Cl)Br)Cl
Chemical ID:
7354490
Name [?]:
4-bromo-2,6-dichloro-N-(2-diethylaminoethyl)benzenesulfonamide
SMILES [?]:
CCN(CC)CCNS(=O)(=O)c1c(cc(cc1Cl)Br)Cl
InChi [?]:
InChI=1/C12H17BrCl2N2O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,6,14,16,15,13,17,12,19,20,18,8,3,10,11,9/E:(1,2)(3,4)(7,8)(10,11)(14,15)(18,19)/CRV:20.6/rA:20nCCNCCCCNSOOCCCCCCClBrCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17BrCl2N2O2S
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5105
Area:524.214
Solvation:-2.59486
Coulombic:-16.8332
Bond Count [?]
All:20
Single:15
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.151
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.61
LogP (Chemaxon):2.87

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Descriptor Annotations

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