Chemical ID: 5361266

Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(cc3)C(=O)OC
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

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