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Chemical ID: 6368405
Chemical ID:
6368405
Name [?]:
N-(4-chloro-2-fluoro-phenyl)benzenesulfonamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2F)Cl
InChi [?]:
InChI=1/C12H9ClFNO2S/c13-9-6-7-12(11(14)8-9)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,12,15,14,4,16,11,18,17,10,8,9,7/E:(2,3)(4,5)(16,17)/CRV:18.6/rA:18nCCCCCCSOONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClFNO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41396 |
Area: | 429.856 |
Solvation: | -2.33243 |
Coulombic: | -17.8481 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.723 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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