Chemical ID: 6607132

c1cc(ccc1NS(=O)(=O)c2cc(ccc2Br)Br)O
Chemical ID:
6607132
Name [?]:
2,5-dibromo-N-(4-hydroxyphenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2cc(ccc2Br)Br)O
InChi [?]:
InChI=1/C12H9Br2NO3S/c13-8-1-6-11(14)12(7-8)19(17,18)15-9-2-4-10(16)5-3-9/h1-7,15-16H
InChi Info:
AuxInfo=1/0/N:14,1,5,2,4,15,12,13,6,3,16,11,18,17,7,19,9,10,8/E:(2,3)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCBrBrO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Br2NO3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.59463
Area:451.916
Solvation:-2.70328
Coulombic:-28.3577
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:407.079
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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