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Chemical ID: 4080855
Chemical ID:
4080855
Name [?]:
3-methyl-N-(2,3,4-trifluorophenyl)-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C13H10F3NO2S/c1-8-3-2-4-9(7-8)20(18,19)17-11-6-5-10(14)12(15)13(11)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,13,7,2,6,15,12,16,17,20,19,18,11,9,10,8/E:(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10F3NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57986 |
Area: | 428.061 |
Solvation: | -4.12165 |
Coulombic: | -23.2145 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 301.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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