Chemical ID: 6149905

c1ccc(cc1)CNS(=O)(=O)c2ccccc2C(F)(F)F
Chemical ID:
6149905
Name [?]:
N-benzyl-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
c1ccc(cc1)CNS(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C14H12F3NO2S/c15-14(16,17)12-8-4-5-9-13(12)21(19,20)18-10-11-6-2-1-3-7-11/h1-9,18H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,7,4,17,12,18,19,20,21,8,10,11,9/E:(2,3)(6,7)(15,16,17)(19,20)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F3NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.25749
Area:448.411
Solvation:-2.95278
Coulombic:-31.9154
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):3.59

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Descriptor Annotations

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