Chemical ID: 5492399

Cc1cc(c(c(c1C)S(=O)(=O)NCc2ccc(cc2)F)C)C
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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