Chemical ID: 4067893

CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)F)F
Chemical ID:
4067893
Name [?]:
4-isopropyl-N-(2,3,4-trifluorophenyl)-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C15H14F3NO2S/c1-9(2)10-3-5-11(6-4-10)22(20,21)19-13-8-7-12(16)14(17)15(13)18/h3-9,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,6,8,16,15,2,4,7,17,14,18,19,22,21,20,13,11,12,10/E:(1,2)(3,4)(5,6)(20,21)/CRV:22.6/rA:22nCCCCCCCCCSOONCCCCCCFFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F3NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.72023
Area:474.629
Solvation:-4.14548
Coulombic:-23.8235
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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