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Chemical ID: 7354490
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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