2-(pyridin-4-ylsulfamoyl)propanoic acid

C8H10N2O4S — CID 61454432

IUPAC2-(pyridin-4-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C8H10N2O4S/c1-6(8(11)12)15(13,14)10-7-2-4-9-5-3-7/h2-6H,1H3,(H,9,10)(H,11,12)
InChIKeyZCKYTCVAOFRGLM-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.30
Rot. Bonds4

About 2-(pyridin-4-ylsulfamoyl)propanoic acid

2-(pyridin-4-ylsulfamoyl)propanoic acid (PubChem CID 61454432) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(pyridin-4-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(pyridin-4-ylsulfamoyl)propanoic acid
PubChem CID61454432
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name2-(pyridin-4-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C8H10N2O4S/c1-6(8(11)12)15(13,14)10-7-2-4-9-5-3-7/h2-6H,1H3,(H,9,10)(H,11,12)
InChIKeyZCKYTCVAOFRGLM-UHFFFAOYSA-N
XLogP0.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-propylphenyl)sulfamoyl]propanoic acid
CID 54947538
2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
CID 54947129
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
CID 61455083
2-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61455047
2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
CID 114898162
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
CID 114387079
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(pyridin-4-ylsulfamoyl)propanoic acid (CID 61454432) is 2-(pyridin-4-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(pyridin-4-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(pyridin-4-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylsulfamoyl)propanoic acid?
The InChIKey is ZCKYTCVAOFRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6(8(11)12)15(13,14)10-7-2-4-9-5-3-7/h2-6H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(pyridin-4-ylsulfamoyl)propanoic acid?
2-(pyridin-4-ylsulfamoyl)propanoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).