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Chemical ID: 4080567
Chemical ID:
4080567
Name [?]:
2,4-dichloro-N-(3-chloro-4-methyl-phenyl)-5-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)C
InChi [?]:
InChI=1/C14H12Cl3NO2S/c1-8-3-4-10(6-11(8)15)18-21(19,20)14-5-9(2)12(16)7-13(14)17/h3-7,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,14,6,17,2,15,5,7,16,18,13,8,20,19,9,11,12,10/E:(19,20)/CRV:21.6/rA:21nCCCCCCCClNSOOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl3NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9975 |
Area: | 511.67 |
Solvation: | -1.79427 |
Coulombic: | -13.8608 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 364.675 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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