4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid

C11H14FNO5S — CID 43380723

IUPAC4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
SMILESCOc1ccc(NS(=O)(=O)CCCC(=O)O)cc1F
InChIInChI=1S/C11H14FNO5S/c1-18-10-5-4-8(7-9(10)12)13-19(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyDXCZZMGWBBAWMX-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.44
Rot. Bonds7

About 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid

4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid (PubChem CID 43380723) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
PubChem CID43380723
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
SMILESCOc1ccc(NS(=O)(=O)CCCC(=O)O)cc1F
InChIInChI=1S/C11H14FNO5S/c1-18-10-5-4-8(7-9(10)12)13-19(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyDXCZZMGWBBAWMX-UHFFFAOYSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid (CID 43380723) is 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid is COc1ccc(NS(=O)(=O)CCCC(=O)O)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid?
The InChIKey is DXCZZMGWBBAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-18-10-5-4-8(7-9(10)12)13-19(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid?
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43380723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).