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Chemical ID: 7276249
Chemical ID:
7276249
Name [?]:
2-chloro-N-(2,4-difluorophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)Nc2ccc(cc2F)F)Cl
InChi [?]:
InChI=1/C12H8ClF2NO2S/c13-9-3-1-2-4-12(9)19(17,18)16-11-6-5-8(14)7-10(11)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,13,12,15,14,4,16,11,5,19,18,17,10,8,9,7/E:(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8ClF2NO2S |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86018 |
Area: | 419.54 |
Solvation: | -3.62832 |
Coulombic: | -19.6417 |
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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