Chemical ID: 4368622

Cc1ccnc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
Chemical ID:
4368622
Name [?]:
2,4,5-trichloro-N-(4-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1ccnc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C12H9Cl3N2O2S/c1-7-2-3-16-12(4-7)17-20(18,19)11-6-9(14)8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,16,13,2,15,14,17,12,6,19,20,18,5,8,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCNCCNSOOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Cl3N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.57327
Area:489.361
Solvation:-2.66077
Coulombic:-16.6245
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:351.636
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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