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Chemical ID: 4753558
Chemical ID:
4753558
Name [?]:
4-ethyl-N-(3-sulfamoylphenyl)-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2cccc(c2)S(=O)(=O)N
InChi [?]:
InChI=1/C15H16N2O3S/c1-2-11-6-8-12(9-7-11)15(18)17-13-4-3-5-14(10-13)21(16,19)20/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,4,8,5,7,17,3,6,12,16,9,21,11,10,19,20,18/E:(6,7)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCCCONCCCCCCSOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60579 |
Area: | 501.747 |
Solvation: | -2.93789 |
Coulombic: | -38.6026 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.365 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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