Chemical ID: 7317365

c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)Br)F
Chemical ID:
7317365
Name [?]:
3-bromo-N-(2-fluorophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)Br)F
InChi [?]:
InChI=1/C12H9BrFNO2S/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:18nCCCCCCNSOOCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9BrFNO2S
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.27459
Area:423.975
Solvation:-2.32479
Coulombic:-17.8332
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:330.174
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.67
LogP (Chemaxon):3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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