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Chemical ID: 6385487
Chemical ID:
6385487
Name [?]:
4-bromo-N-(2,3-dichlorophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NS(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C12H8BrCl2NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-11-3-1-2-10(14)12(11)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,6,2,15,17,14,18,16,13,5,3,4,19,7,8,9,11,12,10/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCClClNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8BrCl2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1603 |
Area: | 473.815 |
Solvation: | -1.68509 |
Coulombic: | -14.4829 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.073 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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