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Chemical ID: 5361266
Chemical ID:
5361266
Name [?]:
methyl 4-[4-chloro-3-(m-tolylsulfamoyl)benzoyl]aminobenzoate
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C22H19ClN2O5S/c1-14-4-3-5-18(12-14)25-31(28,29)20-13-16(8-11-19(20)23)21(26)24-17-9-6-15(7-10-17)22(27)30-2/h3-13,25H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,31,4,3,5,24,26,15,23,27,16,7,13,2,25,14,22,6,17,12,19,28,18,21,8,20,29,10,11,30,9/E:(6,7)(9,10)(28,29)/CRV:31.6/rA:31nCCCCCCCNSOOCCCCCCClCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O5S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2344 |
Area: | 665.876 |
Solvation: | -4.41247 |
Coulombic: | -53.3016 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 458.915 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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