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Chemical ID: 5113151
Chemical ID:
5113151
Name [?]:
2-methoxy-5-methyl-N-(4-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2ccncc2)OC
InChi [?]:
InChI=1/C13H14N2O3S/c1-10-3-4-12(18-2)13(9-10)19(16,17)15-11-5-7-14-8-6-11/h3-9H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,19,3,4,13,17,14,16,7,2,12,5,6,15,11,9,10,18,8/E:(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCCCCCCCSOONCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19104 |
Area: | 436.865 |
Solvation: | -3.73059 |
Coulombic: | -23.3861 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.81 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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