Chemical ID: 5786130

Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2Cl)Cl)Cl
Chemical ID:
5786130
Name [?]:
4-methyl-N-(2,4,5-trichlorophenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H10Cl3NO2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-11(15)10(14)6-12(13)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,16,13,2,5,15,14,17,12,19,20,18,11,9,10,8/E:(2,3)(4,5)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl3NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6448
Area:495.875
Solvation:-1.75208
Coulombic:-14.1538
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.648
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.63

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Descriptor Annotations

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