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Chemical ID: 4669001
Chemical ID:
4669001
Name [?]:
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,6,10,16,18,7,9,15,19,2,21,5,17,8,14,4,20,3,22,12,13,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/CRV:23.6/rA:23nCCONCCCCCCSOOCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9814 |
Area: | 530.115 |
Solvation: | -4.27147 |
Coulombic: | -42.3741 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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