4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate

C10H11FNO5S- — CID 9160422

IUPAC4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
SMILESCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F
InChIInChI=1S/C10H12FNO5S/c1-17-5-4-12-18(15,16)9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14)/p-1
InChIKeyUCUQFBFOEOUIBD-UHFFFAOYSA-M
MW276.26 g/mol
LogP-0.89
Rot. Bonds6

About 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate

4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate (PubChem CID 9160422) has the molecular formula C10H11FNO5S- and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
PubChem CID9160422
Molecular FormulaC10H11FNO5S-
Molecular Weight276.26 g/mol
Exact Mass276.03
IUPAC Name4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
SMILESCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F
InChIInChI=1S/C10H12FNO5S/c1-17-5-4-12-18(15,16)9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14)/p-1
InChIKeyUCUQFBFOEOUIBD-UHFFFAOYSA-M
XLogP-0.89
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
4-fluoro-3-[2-(2-methoxyphenyl)ethylsulfamoyl]benzoate
CID 9160272
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269
4-fluoro-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfamoyl]benzoate
CID 9159987
4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
CID 9160250
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
3-[(4-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160178
3-(2-hydroxyethylsulfamoyl)-4-methylbenzoate
CID 7024656
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160397
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate?
The IUPAC name of 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate (CID 9160422) is 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate.
What is the SMILES notation for 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate?
The canonical SMILES for 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate is COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F.
What is the InChIKey of 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate?
The InChIKey is UCUQFBFOEOUIBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12FNO5S/c1-17-5-4-12-18(15,16)9-6-7(10(13)14)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3,(H,13,14)/p-1.
What are the key properties of 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate?
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate has a molecular weight of 276.26 g/mol, XLogP of -0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate is sourced from PubChem (CID 9160422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).