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Chemical ID: 7253652
Chemical ID:
7253652
Name [?]:
2,3,4-trifluoro-N-(p-tolylmethyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C14H12F3NO2S/c1-9-2-4-10(5-3-9)8-18-21(19,20)12-7-6-11(15)13(16)14(12)17/h2-7,18H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,15,14,8,2,5,16,13,17,18,21,20,19,9,11,12,10/E:(2,3)(4,5)(19,20)/CRV:21.6/rA:21nCCCCCCCCNSOOCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12F3NO2S |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96668 |
Area: | 464.605 |
Solvation: | -4.64845 |
Coulombic: | -22.225 |
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: | 3.5 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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