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Chemical ID: 5492399
Chemical ID:
5492399
Name [?]:
N-[(4-fluorophenyl)methyl]-2,3,5,6-tetramethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1C)S(=O)(=O)NCc2ccc(cc2)F)C)C
InChi [?]:
InChI=1/C17H20FNO2S/c1-11-9-12(2)14(4)17(13(11)3)22(20,21)19-10-15-5-7-16(18)8-6-15/h5-9,19H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,8,21,15,19,16,18,3,13,2,4,7,5,14,17,6,20,12,10,11,9/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(20,21)/CRV:22.6/rA:22nCCCCCCCCSOONCCCCCCCFCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;s17;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66743 |
Area: | 495.24 |
Solvation: | -2.71357 |
Coulombic: | -17.6754 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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