4-(pyridin-2-ylsulfonylamino)butanoic acid

C9H12N2O4S — CID 122067598

IUPAC4-(pyridin-2-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12N2O4S/c12-9(13)5-3-7-11-16(14,15)8-4-1-2-6-10-8/h1-2,4,6,11H,3,5,7H2,(H,12,13)
InChIKeyJTQMXXQKXILEFL-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.22
Rot. Bonds6

About 4-(pyridin-2-ylsulfonylamino)butanoic acid

4-(pyridin-2-ylsulfonylamino)butanoic acid (PubChem CID 122067598) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(pyridin-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(pyridin-2-ylsulfonylamino)butanoic acid
PubChem CID122067598
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-(pyridin-2-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12N2O4S/c12-9(13)5-3-7-11-16(14,15)8-4-1-2-6-10-8/h1-2,4,6,11H,3,5,7H2,(H,12,13)
InChIKeyJTQMXXQKXILEFL-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
CID 10246976
N-propylpyridine-2-sulfonamide
CID 91182516
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
4-(furan-2-ylsulfonylamino)butanoic acid
CID 68573622
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
CID 86048885
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-(3-amino-2-hydroxypropyl)pyridine-2-sulfonamide
CID 71422369

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(pyridin-2-ylsulfonylamino)butanoic acid (CID 122067598) is 4-(pyridin-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(pyridin-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(pyridin-2-ylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)c1ccccn1.
What is the InChIKey of 4-(pyridin-2-ylsulfonylamino)butanoic acid?
The InChIKey is JTQMXXQKXILEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-9(13)5-3-7-11-16(14,15)8-4-1-2-6-10-8/h1-2,4,6,11H,3,5,7H2,(H,12,13).
What are the key properties of 4-(pyridin-2-ylsulfonylamino)butanoic acid?
4-(pyridin-2-ylsulfonylamino)butanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 122067598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).