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Chemical ID: 7290407
Chemical ID:
7290407
Name [?]:
2-methoxy-N-(4-methoxyphenyl)-5-sulfamoyl-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2cc(ccc2OC)S(=O)(=O)N
InChi [?]:
InChI=1/C15H16N2O5S/c1-21-11-5-3-10(4-6-11)17-15(18)13-9-12(23(16,19)20)7-8-14(13)22-2/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,5,7,4,8,15,16,13,6,3,14,12,17,10,23,9,11,21,22,2,18,20/E:(3,4)(5,6)(19,20)/CRV:23.6/rA:23nCOCCCCCCNCOCCCCCCOCSOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s14;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O5S |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44903 |
Area: | 523.103 |
Solvation: | -6.62855 |
Coulombic: | -48.8412 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.364 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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