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Chemical ID: 7007262
Chemical ID:
7007262
Name [?]:
N-(2,5-dimethylphenyl)-2-fluoro-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2F)C
InChi [?]:
InChI=1/C14H14FNO2S/c1-10-7-8-11(2)13(9-10)16-19(17,18)14-6-4-3-5-12(14)15/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,16,13,3,4,7,2,5,17,6,12,18,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14FNO2S |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78013 |
Area: | 418.988 |
Solvation: | -2.69457 |
Coulombic: | -16.7567 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 279.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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