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Chemical ID: 6738565
Chemical ID:
6738565
Name [?]:
(3-methoxyphenyl)-(1H-pyridin-5-ylsulfonyl)azanide
SMILES [?]:
COc1cccc(c1)[N-]S(=O)(=O)c2ccc[nH+]c2
InChi [?]:
InChI=1/C12H11N2O3S/c1-17-11-5-2-4-10(8-11)14-18(15,16)12-6-3-7-13-9-12/h2-9H,1H3/q-1/p+1
InChi Info:
AuxInfo=1/1/N:1,5,15,6,4,14,16,8,18,7,3,13,17,9,11,12,2,10/E:(15,16)/CRV:14-1,18.6/rA:18nCOCCCCCCN-SOOCCCCN+C/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -26.2473 |
Area: | 433.54 |
Solvation: | -37.0858 |
Coulombic: | -4.4495 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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