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Chemical ID: 7007634
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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