methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate

C10H12FNO5S — CID 63675600

IUPACmethyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccc(F)cc1O
InChIInChI=1S/C10H12FNO5S/c1-17-10(14)4-5-18(15,16)12-8-3-2-7(11)6-9(8)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyRPTVFZUXBQJRKU-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.84
Rot. Bonds5

About methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate

methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate (PubChem CID 63675600) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
PubChem CID63675600
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Namemethyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccc(F)cc1O
InChIInChI=1S/C10H12FNO5S/c1-17-10(14)4-5-18(15,16)12-8-3-2-7(11)6-9(8)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyRPTVFZUXBQJRKU-UHFFFAOYSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
CID 61460299
methyl 3-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfamoyl]propanoate
CID 81198714
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 43716819
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-hydroxybenzoic acid
CID 61459053
methyl 3-(4-fluoro-2-methylphenyl)sulfonylpropanoate
CID 117037058

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate (CID 63675600) is methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1ccc(F)cc1O.
What is the InChIKey of methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate?
The InChIKey is RPTVFZUXBQJRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO5S/c1-17-10(14)4-5-18(15,16)12-8-3-2-7(11)6-9(8)13/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate?
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate has a molecular weight of 277.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate is sourced from PubChem (CID 63675600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).