Chemical ID: 7256943

c1cc(ccc1C#N)NS(=O)(=O)c2cc(ccc2Br)Br
Chemical ID:
7256943
Name [?]:
2,5-dibromo-N-(4-cyanophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1C#N)NS(=O)(=O)c2cc(ccc2Br)Br
InChi [?]:
InChI=1/C13H8Br2N2O2S/c14-10-3-6-12(15)13(7-10)20(18,19)17-11-4-1-9(8-16)2-5-11/h1-7,17H
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,17,14,7,6,15,3,18,13,20,19,8,9,11,12,10/E:(1,2)(4,5)(18,19)/CRV:20.6/rA:20nCCCCCCCNNSOOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br2N2O2S
All Atoms:28
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.69822
Area:477.937
Solvation:-2.25021
Coulombic:-16.0346
Bond Count [?]
All:21
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:416.089
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.03
LogP (Chemaxon):4.01

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Descriptor Annotations

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