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Chemical ID: 6149905
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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