2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid

C12H15FN2O5S — CID 43427428

IUPAC2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1F)C(=O)O
InChIInChI=1S/C12H15FN2O5S/c1-3-10(12(17)18)15-21(19,20)11-5-4-8(6-9(11)13)14-7(2)16/h4-6,10,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyAVMWZNGOFAMQBO-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.93
Rot. Bonds6

About 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid

2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid (PubChem CID 43427428) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
PubChem CID43427428
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1F)C(=O)O
InChIInChI=1S/C12H15FN2O5S/c1-3-10(12(17)18)15-21(19,20)11-5-4-8(6-9(11)13)14-7(2)16/h4-6,10,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyAVMWZNGOFAMQBO-UHFFFAOYSA-N
XLogP0.93
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
CID 54881567
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid (CID 43427428) is 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1F)C(=O)O.
What is the InChIKey of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid?
The InChIKey is AVMWZNGOFAMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-3-10(12(17)18)15-21(19,20)11-5-4-8(6-9(11)13)14-7(2)16/h4-6,10,15H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid?
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43427428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).