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Chemical ID: 6339049
Chemical ID:
6339049
Name [?]:
N-[4-(benzylideneaminosulfamoyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)NN=Cc2ccccc2
InChi [?]:
InChI=1/C15H15N3O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-16-11-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,6,10,7,9,16,2,17,5,8,15,4,14,3,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:22.6/rA:22nCCONCCCCCCSOONNCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;w15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1966 |
Area: | 511.335 |
Solvation: | -3.58677 |
Coulombic: | -31.1736 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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