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Chemical ID: 4246439
Chemical ID:
4246439
Name [?]:
4-ethoxy-N-(3-fluorophenyl)-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C14H14FNO3S/c1-2-19-13-6-8-14(9-7-13)20(17,18)16-12-5-3-4-11(15)10-12/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,15,5,9,6,8,19,18,14,4,7,20,13,11,12,3,10/E:(6,7)(8,9)(17,18)/CRV:20.6/rA:20nCCOCCCCCCSOONCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14FNO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5984 |
Area: | 458.704 |
Solvation: | -3.8692 |
Coulombic: | -23.3423 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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