Chemical ID: 6762077

Cc1cc(c(c(c1)C)S(=O)(=O)[N-]c2cccc(c2)Br)C
Chemical ID:
6762077
Name [?]:
(3-bromophenyl)-(2,4,6-trimethylphenyl)sulfonyl-azanide
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)[N-]c2cccc(c2)Br)C
InChi [?]:
InChI=1/C15H15BrNO2S/c1-10-7-11(2)15(12(3)8-10)20(18,19)17-14-6-4-5-13(16)9-14/h4-9H,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,8,20,15,16,14,7,3,18,2,6,4,17,13,5,19,12,10,11,9/E:(2,3)(7,8)(11,12)(18,19)/CRV:17-1,20.6/rA:20nCCCCCCCCSOON-CCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15BrNO2S-
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-21.5833
Area:474.907
Solvation:-33.456
Coulombic:24.4273
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:353.255
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):4.8

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