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Chemical ID: 7243863
Chemical ID:
7243863
Name [?]:
N-(4-aminophenyl)-2,6-dichloro-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)S(=O)(=O)Nc2ccc(cc2)N)Cl
InChi [?]:
InChI=1/C12H10Cl2N2O2S/c13-10-2-1-3-11(14)12(10)19(17,18)16-9-6-4-8(15)5-7-9/h1-7,16H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,16,13,17,15,12,3,5,4,19,7,18,11,9,10,8/E:(2,3)(4,5)(6,7)(10,11)(13,14)(17,18)/CRV:19.6/rA:19nCCCCCCClSOONCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59662 |
Area: | 435.497 |
Solvation: | -2.29081 |
Coulombic: | -29.3032 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.191 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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