4-(pyridin-3-ylsulfamoyl)butanoic acid

C9H12N2O4S — CID 28773517

IUPAC4-(pyridin-3-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cccnc1
InChIInChI=1S/C9H12N2O4S/c12-9(13)4-2-6-16(14,15)11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2,(H,12,13)
InChIKeyKYPOEWZKMFBTKH-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.69
Rot. Bonds6

About 4-(pyridin-3-ylsulfamoyl)butanoic acid

4-(pyridin-3-ylsulfamoyl)butanoic acid (PubChem CID 28773517) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(pyridin-3-ylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylsulfamoyl)butanoic acid
PubChem CID28773517
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-(pyridin-3-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cccnc1
InChIInChI=1S/C9H12N2O4S/c12-9(13)4-2-6-16(14,15)11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2,(H,12,13)
InChIKeyKYPOEWZKMFBTKH-UHFFFAOYSA-N
XLogP0.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
CID 43715118
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
CID 62904166
3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylsulfamoyl)butanoic acid?
The IUPAC name of 4-(pyridin-3-ylsulfamoyl)butanoic acid (CID 28773517) is 4-(pyridin-3-ylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(pyridin-3-ylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(pyridin-3-ylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)Nc1cccnc1.
What is the InChIKey of 4-(pyridin-3-ylsulfamoyl)butanoic acid?
The InChIKey is KYPOEWZKMFBTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-9(13)4-2-6-16(14,15)11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2,(H,12,13).
What are the key properties of 4-(pyridin-3-ylsulfamoyl)butanoic acid?
4-(pyridin-3-ylsulfamoyl)butanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylsulfamoyl)butanoic acid is sourced from PubChem (CID 28773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).