3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid

C11H12FNO6S — CID 43716819

IUPAC3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
SMILESCOC(=O)c1ccc(F)cc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H12FNO6S/c1-19-11(16)8-3-2-7(12)6-9(8)13-20(17,18)5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyQZBDTJHHZWGSII-UHFFFAOYSA-N
MW305.28 g/mol
LogP0.83
Rot. Bonds6

About 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid

3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid (PubChem CID 43716819) has the molecular formula C11H12FNO6S and a molecular weight of 305.28 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
PubChem CID43716819
Molecular FormulaC11H12FNO6S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
SMILESCOC(=O)c1ccc(F)cc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H12FNO6S/c1-19-11(16)8-3-2-7(12)6-9(8)13-20(17,18)5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyQZBDTJHHZWGSII-UHFFFAOYSA-N
XLogP0.83
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-fluoro-2-(sulfanylmethylsulfonylamino)benzoate
CID 88558706
dimethyl 2-[2-(4-fluorophenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
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4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
methyl 4-(hydroxymethyl)-2-(propylsulfonylamino)benzoate
CID 67529286
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361877
3-[(4-fluoro-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43361967
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-4-fluorobenzoic acid
CID 61456671
methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
methyl 4-chloro-2-(ethylsulfonylamino)benzoate
CID 18350465
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid (CID 43716819) is 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid is COC(=O)c1ccc(F)cc1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid?
The InChIKey is QZBDTJHHZWGSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO6S/c1-19-11(16)8-3-2-7(12)6-9(8)13-20(17,18)5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid?
3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid has a molecular weight of 305.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43716819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).