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Chemical ID: 6933650
Chemical ID:
6933650
Name [?]:
4-chloro-N-(3-chloro-4-cyano-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2ccc(c(c2)Cl)C#N)Cl
InChi [?]:
InChI=1/C13H8Cl2N2O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9(8-16)13(15)7-11/h1-7,17H
InChi Info:
AuxInfo=1/0/N:13,2,4,12,1,5,16,18,14,3,11,6,15,20,17,19,10,8,9,7/E:(2,3)(5,6)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCClCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s14;t18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8094 |
Area: | 492.225 |
Solvation: | -2.49623 |
Coulombic: | -16.3116 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 327.186 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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