Chemical ID: 4080855

Cc1cccc(c1)S(=O)(=O)Nc2ccc(c(c2F)F)F
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

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Descriptor Annotations

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