Chemical ID: 7007634

Cc1ccccc1NS(=O)(=O)c2ccccc2C(F)(F)F
Chemical ID:
7007634
Name [?]:
N-(o-tolyl)-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C14H12F3NO2S/c1-10-6-2-4-8-12(10)18-21(19,20)13-9-5-3-7-11(13)14(15,16)17/h2-9,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,15,5,14,3,16,6,13,2,17,7,12,18,19,20,21,8,10,11,9/E:(15,16,17)(19,20)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F3NO2S
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.90395
Area:426.828
Solvation:-2.76676
Coulombic:-31.0294
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.96

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