Chemical ID: 4076822

c1cc(cc(c1)Br)NS(=O)(=O)c2ccc(cc2)C#N
Chemical ID:
4076822
Name [?]:
N-(3-bromophenyl)-4-cyano-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)Br)NS(=O)(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C13H9BrN2O2S/c14-11-2-1-3-12(8-11)16-19(17,18)13-6-4-10(9-15)5-7-13/h1-8,16H
InChi Info:
AuxInfo=1/0/N:1,6,2,14,16,13,17,4,18,15,5,3,12,7,19,8,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCBrNSOOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.28687
Area:461.261
Solvation:-2.24465
Coulombic:-16.4746
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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