methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate

C17H19NO5S — CID 47062658

IUPACmethyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H19NO5S/c1-13-4-3-5-14(12-13)18-24(20,21)16-8-6-15(7-9-16)23-11-10-17(19)22-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyBSBVLFFOZRAFRI-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.74
Rot. Bonds7

About methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate

methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate (PubChem CID 47062658) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
PubChem CID47062658
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H19NO5S/c1-13-4-3-5-14(12-13)18-24(20,21)16-8-6-15(7-9-16)23-11-10-17(19)22-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyBSBVLFFOZRAFRI-UHFFFAOYSA-N
XLogP2.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfamoyl)phenoxy]propanoate
CID 47062752
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3265403
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate (CID 47062658) is methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate is COC(=O)CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate?
The InChIKey is BSBVLFFOZRAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-13-4-3-5-14(12-13)18-24(20,21)16-8-6-15(7-9-16)23-11-10-17(19)22-2/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate?
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate has a molecular weight of 349.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate is sourced from PubChem (CID 47062658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).