Chemical ID: 5477304

Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(c(c3)C(=O)OC)Cl
Chemical ID:
5477304
Name [?]:
methyl 2-chloro-5-[4-chloro-3-(p-tolylsulfamoyl)benzoyl]amino-benzoate
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(c(c3)C(=O)OC)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O5S/c1-13-3-6-15(7-4-13)26-32(29,30)20-11-14(5-9-19(20)24)21(27)25-16-8-10-18(23)17(12-16)22(28)31-2/h3-12,26H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,31,3,7,15,4,6,23,16,24,13,27,2,14,5,22,26,25,17,12,19,28,32,18,21,8,20,29,10,11,30,9/E:(3,4)(6,7)(29,30)/CRV:32.6/rA:32nCCCCCCCNSOOCCCCCCClCONCCCCCCCOOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;d28;s28;s30;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18Cl2N2O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.74
Area:686.307
Solvation:-4.41767
Coulombic:-53.0749
Bond Count [?]
All:34
Single:21
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:493.36
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.3
LogP (Chemaxon):4.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue