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Chemical ID: 7045806
Chemical ID:
7045806
Name [?]:
6-chloro-N-(2,5-dichlorophenyl)-pyridine-3-sulfonamide
SMILES [?]:
c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(nc2)Cl)Cl
InChi [?]:
InChI=1/C11H7Cl3N2O2S/c12-7-1-3-9(13)10(5-7)16-19(17,18)8-2-4-11(14)15-6-8/h1-6,16H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,5,17,6,12,3,4,15,7,19,18,16,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCClNSOOCCCCNCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7Cl3N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96457 |
Area: | 480.503 |
Solvation: | -2.04799 |
Coulombic: | -18.7149 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 337.61 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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