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Chemical ID: 4080744
Chemical ID:
4080744
Name [?]:
N-(2,4-difluorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C13H11F2NO2S/c1-9-3-2-4-11(7-9)19(17,18)16-13-6-5-10(14)8-12(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,13,7,16,2,15,6,17,12,19,18,11,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11F2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36966 |
Area: | 421.268 |
Solvation: | -3.16203 |
Coulombic: | -20.0772 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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