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Chemical ID: 5540322
Chemical ID:
5540322
Name [?]:
N-(3,4-difluorophenyl)-2,3,5,6-tetramethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c(c2)F)F)C)C
InChi [?]:
InChI=1/C16H17F2NO2S/c1-9-7-10(2)12(4)16(11(9)3)22(20,21)19-13-5-6-14(17)15(18)8-13/h5-8,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,8,21,14,15,3,18,2,4,7,5,13,16,17,6,20,19,12,10,11,9/E:(1,2)(3,4)(9,10)(11,12)(20,21)/CRV:22.6/rA:22nCCCCCCCCSOONCCCCCCFFCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;s16;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17F2NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84775 |
Area: | 454.506 |
Solvation: | -3.51491 |
Coulombic: | -19.605 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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