Chemical ID: 4262678

c1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)Br)Br
Chemical ID:
4262678
Name [?]:
4-bromo-N-(2-bromophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C12H9Br2NO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,13,15,12,16,14,11,4,5,17,18,7,9,10,8/E:(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCNSOOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Br2NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.49177
Area:442.912
Solvation:-1.58102
Coulombic:-14.2327
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:391.079
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):4.19

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Descriptor Annotations

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