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Chemical ID: 4074354
Chemical ID:
4074354
Name [?]:
2-bromo-N-(2-bromo-4-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)Nc2ccc(cc2Br)F)Br
InChi [?]:
InChI=1/C12H8Br2FNO2S/c13-9-3-1-2-4-12(9)19(17,18)16-11-6-5-8(15)7-10(11)14/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,13,12,15,14,4,16,11,5,19,17,18,10,8,9,7/E:(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCBrFBr/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: | C12H8Br2FNO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21063 |
Area: | 438.4 |
Solvation: | -2.74938 |
Coulombic: | -16.2698 |
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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