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Chemical ID: 7317347
Chemical ID:
7317347
Name [?]:
3-bromo-N-(2-chlorophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)Br)Cl
InChi [?]:
InChI=1/C12H9BrClNO2S/c13-9-4-3-5-10(8-9)18(16,17)15-12-7-2-1-6-11(12)14/h1-8,15H
InChi Info:
AuxInfo=1/0/N:2,1,13,14,12,3,6,16,15,11,4,5,17,18,7,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCNSOOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9BrClNO2S |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55794 |
Area: | 445.551 |
Solvation: | -1.58084 |
Coulombic: | -14.5706 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 346.628 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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