Chemical ID: 4039853

c1cc(cc(c1)S(=O)(=O)Nc2cccc(c2)Br)C#N
Chemical ID:
4039853
Name [?]:
N-(3-bromophenyl)-3-cyano-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2cccc(c2)Br)C#N
InChi [?]:
InChI=1/C13H9BrN2O2S/c14-11-4-2-5-12(8-11)16-19(17,18)13-6-1-3-10(7-13)9-15/h1-8,16H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,12,6,4,16,18,3,15,11,5,17,19,10,8,9,7/E:(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCBrCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s3;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.83847
Area:447.638
Solvation:-2.35247
Coulombic:-16.1136
Bond Count [?]
All:20
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.193
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.24
LogP (Chemaxon):3.21

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Descriptor Annotations

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