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Chemical ID: 7291383
Chemical ID:
7291383
Name [?]:
6-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]-pyridine-3-carboxamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)OC)NC(=O)c3ccc(nc3)O
InChi [?]:
InChI=1/C20H19N3O5S/c1-13-3-5-16(22-20(25)14-4-10-19(24)21-12-14)11-18(13)29(26,27)23-15-6-8-17(28-2)9-7-15/h3-12,23H,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,19,3,24,4,13,17,14,16,25,6,28,2,23,12,5,15,7,26,21,27,20,11,29,22,9,10,18,8/E:(6,7)(8,9)(26,27)/CRV:29.6/rA:29nCCCCCCCSOONCCCCCCOCNCOCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O5S |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36161 |
Area: | 609.623 |
Solvation: | -5.87897 |
Coulombic: | -60.5975 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 413.448 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.98 |
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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