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Chemical ID: 5603154
Chemical ID:
5603154
Name [?]:
N-(2-bromophenyl)-2,3-dichloro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2cccc(c2Cl)Cl)Br
InChi [?]:
InChI=1/C12H8BrCl2NO2S/c13-8-4-1-2-6-10(8)16-19(17,18)11-7-3-5-9(14)12(11)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,1,13,3,14,6,12,4,15,5,11,16,19,18,17,7,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8BrCl2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41542 |
Area: | 458.452 |
Solvation: | -2.04589 |
Coulombic: | -13.7827 |
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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