Chemical ID: 6730159

COc1ccccc1[N-]S(=O)(=O)c2cc(ccc2Cl)Cl
Chemical ID:
6730159
Name [?]:
(2,5-dichlorophenyl)sulfonyl-(2-methoxyphenyl)-azanide
SMILES [?]:
COc1ccccc1[N-]S(=O)(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C13H10Cl2NO3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(14)6-7-10(13)15/h2-8H,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,16,17,14,15,18,8,3,13,20,19,9,11,12,2,10/E:(17,18)/CRV:16-1,20.6/rA:20nCOCCCCCCN-SOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl2NO3S-
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-25.042
Area:487.233
Solvation:-37.2228
Coulombic:20.4537
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.195
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.72
LogP (Chemaxon):3.39

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