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Chemical ID: 5782315
Chemical ID:
5782315
Name [?]:
N-(2,3,4,5,6-pentachlorophenyl)benzenesulfonamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C12H6Cl5NO2S/c13-7-8(14)10(16)12(11(17)9(7)15)18-21(19,20)6-4-2-1-3-5-6/h1-5,18H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,14,13,15,12,16,11,19,20,18,21,17,10,8,9,7/E:(2,3)(4,5)(8,9)(10,11)(14,15)(16,17)(19,20)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCClClClClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s15;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6Cl5NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0392 |
Area: | 498.21 |
Solvation: | -2.41603 |
Coulombic: | -12.9089 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 405.511 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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