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Chemical ID: 5507130
Chemical ID:
5507130
Name [?]:
N-(2,6-dichlorophenyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)NS(=O)(=O)c2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C12H8Cl2FNO2S/c13-10-2-1-3-11(14)12(10)16-19(17,18)9-6-4-8(15)5-7-9/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,16,13,17,15,12,3,5,4,19,7,18,8,10,11,9/E:(2,3)(4,5)(6,7)(10,11)(13,14)(17,18)/CRV:19.6/rA:19nCCCCCCClNSOOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Cl2FNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82548 |
Area: | 430.842 |
Solvation: | -2.94557 |
Coulombic: | -16.9098 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.167 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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