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Chemical ID: 6438555
Chemical ID:
6438555
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-2-(p-tolylsulfonylamino)acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2ccccc2O
InChi [?]:
InChI=1/C16H17N3O4S/c1-12-6-8-14(9-7-12)24(22,23)18-11-16(21)19-17-10-13-4-2-3-5-15(13)20/h2-10,18,20H,11H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,17,12,2,18,5,23,13,16,11,15,24,14,9,10,8/E:(6,7)(8,9)(22,23)/CRV:24.6/rA:24nCCCCCCCSOONCCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72124 |
Area: | 561.657 |
Solvation: | -5.32019 |
Coulombic: | -46.7039 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.39 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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