MLS001197296
C₁₆H₁₈N₂O₅S·350.400 g/mol·CID 5348459
IUPAC: N-[(E)-(2,3,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
Also known as: CHEMBL3212481, AKOS001279286, UPCMLD0ENAT5581532:001, SMR000555377, ST50171054 (+6 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
350.400g/mol
Exact Mass
350.093643Da
Monoisotopic Mass
350.093643Da
XLogP
2.4
Polar Surface Area
94.6Ų
Complexity
499
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
24
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 350.4 g/mol
MW ≤ 500
✓ 2.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H18N2O5S/c1-21-13-9-12(16(23-3)15(10-13)22-2)11-17-18-24(19,20)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b17-11+
Isomers8 compounds with formula C₁₆H₁₈N₂O₅S
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 6869 · 350.4 g/mol
3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 4731 · 350.4 g/mol
N-hydroxy-2-[2-hydroxyethyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 24178109 · 350.4 g/mol
(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 120720 · 350.4 g/mol
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10594000 · 350.4 g/mol
2-amino-N-hydroxy-2-methyl-3-(4-phenoxyphenyl)sulfonylpropanamide
CID 9841323 · 350.4 g/mol
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 2800759 · 350.4 g/mol
2-(4-ethoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1193007 · 350.4 g/mol