methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate

C13H19NO5S — CID 61458556

IUPACmethyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C13H19NO5S/c1-4-14(12-9-11(15)6-5-10(12)2)20(17,18)8-7-13(16)19-3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyANNGOLSRRCZEDB-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.42
Rot. Bonds6

About methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate

methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate (PubChem CID 61458556) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate
PubChem CID61458556
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C13H19NO5S/c1-4-14(12-9-11(15)6-5-10(12)2)20(17,18)8-7-13(16)19-3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyANNGOLSRRCZEDB-UHFFFAOYSA-N
XLogP1.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide
CID 64987830
N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
CID 107736872
methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate
CID 54951513
N-ethyl-N-(5-hydroxy-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 62062287
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
3-[ethyl(hydroxy)amino]-4-methylphenol
CID 174961453
methyl (Z)-4-(N-ethyl-5-hydroxy-2-methylanilino)-2-methylbut-2-enoate
CID 107736652
N-(cyanomethyl)-N'-ethyl-N'-(5-hydroxy-2-methylphenyl)oxamide
CID 107735052
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate (CID 61458556) is methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate is CCN(c1cc(O)ccc1C)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate?
The InChIKey is ANNGOLSRRCZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-14(12-9-11(15)6-5-10(12)2)20(17,18)8-7-13(16)19-3/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate?
methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate has a molecular weight of 301.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate is sourced from PubChem (CID 61458556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).