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Chemical ID: 7284211
Chemical ID:
7284211
Name [?]:
4-chloro-N-(2,5-difluorophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2cc(ccc2F)F)Cl
InChi [?]:
InChI=1/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,4,14,1,5,15,12,3,13,6,16,11,19,18,17,10,8,9,7/E:(1,2)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8ClF2NO2S |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57158 |
Area: | 436.814 |
Solvation: | -3.34877 |
Coulombic: | -19.985 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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