Chemical ID: 6712405

Cc1cc[nH+]c(c1)NS(=O)(=O)c2ccc(cc2)Br
Chemical ID:
6712405
Name [?]:
4-bromo-N-(4-methyl-1H-pyridin-2-yl)-benzenesulfonamide
SMILES [?]:
Cc1cc[nH+]c(c1)NS(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C12H11BrN2O2S/c1-9-6-7-14-12(8-9)15-18(16,17)11-4-2-10(13)3-5-11/h2-8H,1H3,(H,14,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,14,16,13,17,3,4,7,2,15,12,6,18,5,8,10,11,9/E:(2,3)(4,5)(16,17)/CRV:18.6/rA:18nCCCCN+CCNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12BrN2O2S+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-20.8034
Area:440.272
Solvation:-31.8102
Coulombic:-5.31187
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.206
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):2.49

Name Annotations

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Descriptor Annotations

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