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Chemical ID: 7007584
Chemical ID:
7007584
Name [?]:
2-fluoro-N-(4-sulfamoylphenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N
InChi [?]:
InChI=1/C12H11FN2O4S2/c13-11-3-1-2-4-12(11)21(18,19)15-9-5-7-10(8-6-9)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,17,14,16,12,15,5,4,7,21,11,19,20,9,10,18,8/E:(5,6)(7,8)(16,17)(18,19)/CRV:20.6,21.6/rA:21nCCCCCCFSOONCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11FN2O4S2 |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59599 |
Area: | 470.602 |
Solvation: | -4.16906 |
Coulombic: | -31.5523 |
Bond Count [?]
All: | 22 |
Single: | 12 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.357 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.34 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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