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Chemical ID: 4067893
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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