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Chemical ID: 7257822
Chemical ID:
7257822
Name [?]:
4-acetyl-N-(5-fluoro-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C(=O)C)F
InChi [?]:
InChI=1/C15H14FNO3S/c1-10-3-6-13(16)9-15(10)17-21(19,20)14-7-4-12(5-8-14)11(2)18/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,14,16,4,13,17,6,2,18,15,5,12,7,21,8,19,10,11,9/E:(4,5)(7,8)(19,20)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCCCCOCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO3S |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91707 |
Area: | 470.418 |
Solvation: | -3.84339 |
Coulombic: | -23.2857 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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