Chemical ID: 4240667

Cc1ccccc1NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
Chemical ID:
4240667
Name [?]:
4-chloro-N-(o-tolyl)-3-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H11ClF3NO2S/c1-9-4-2-3-5-13(9)19-22(20,21)10-6-7-12(15)11(8-10)14(16,17)18/h2-8,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,13,14,17,2,12,16,15,7,18,22,19,20,21,8,10,11,9/E:(16,17,18)(20,21)/CRV:22.6/rA:22nCCCCCCCNSOOCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClF3NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.09844
Area:474.916
Solvation:-2.77445
Coulombic:-31.0035
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.757
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):4.48

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Descriptor Annotations

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