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Chemical ID: 6322661
Chemical ID:
6322661
Name [?]:
4-bromo-N-(4-bromo-2-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2ccc(cc2F)Br)Br
InChi [?]:
InChI=1/C12H8Br2FNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,4,13,1,5,12,15,3,14,6,16,11,19,18,17,10,8,9,7/E:(1,2)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCFBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Br2FNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08712 |
Area: | 456.529 |
Solvation: | -2.3261 |
Coulombic: | -17.1767 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 409.07 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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