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Chemical ID: 6730159
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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