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Chemical ID: 6149906
Chemical ID:
6149906
Name [?]:
N-phenethyl-2-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
c1ccc(cc1)CCNS(=O)(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H14F3NO2S/c16-15(17,18)13-8-4-5-9-14(13)22(20,21)19-11-10-12-6-2-1-3-7-12/h1-9,19H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,3,5,17,14,7,8,4,18,13,19,20,21,22,9,11,12,10/E:(2,3)(6,7)(16,17,18)(20,21)/CRV:22.6/rA:22nCCCCCCCCNSOOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14F3NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99131 |
Area: | 477.09 |
Solvation: | -2.93594 |
Coulombic: | -31.9675 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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