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Chemical ID: 4746182
Chemical ID:
4746182
Name [?]:
N-(2,4-difluorophenyl)-4-fluoro-3,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(cc(c1F)C)S(=O)(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C14H12F3NO2S/c1-8-5-11(6-9(2)14(8)17)21(19,20)18-13-4-3-10(15)7-12(13)16/h3-7,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,16,15,3,5,18,2,6,17,4,19,14,7,21,20,8,13,11,12,10/E:(1,2)(5,6)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCFCSOONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12F3NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13723 |
Area: | 447.275 |
Solvation: | -4.04465 |
Coulombic: | -22.6683 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 315.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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