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Chemical ID: 7090945
Chemical ID:
7090945
Name [?]:
2-(trifluoromethoxy)benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)N
InChi [?]:
InChI=1/C7H6F3NO3S/c8-7(9,10)14-5-3-1-2-4-6(5)15(11,12)13/h1-4H,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,10,11,15,13,14,7,12/E:(8,9,10)(12,13)/CRV:15.6/rA:15nCCCCCCOCFFFSOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s8;s8;s4;d12;d12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6F3NO3S |
All Atoms: | 21 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.13583 |
Area: | 342.599 |
Solvation: | -2.42915 |
Coulombic: | -48.1788 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 241.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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