6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid

C11H15FN2O4S — CID 103298670

IUPAC6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c12-9-5-4-7-13-11(9)19(17,18)14-8-3-1-2-6-10(15)16/h4-5,7,14H,1-3,6,8H2,(H,15,16)
InChIKeyMLZMSQVCPSAYOM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds8

About 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid

6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid (PubChem CID 103298670) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
PubChem CID103298670
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c12-9-5-4-7-13-11(9)19(17,18)14-8-3-1-2-6-10(15)16/h4-5,7,14H,1-3,6,8H2,(H,15,16)
InChIKeyMLZMSQVCPSAYOM-UHFFFAOYSA-N
XLogP1.14
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid (CID 103298670) is 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid is O=C(O)CCCCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
The InChIKey is MLZMSQVCPSAYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c12-9-5-4-7-13-11(9)19(17,18)14-8-3-1-2-6-10(15)16/h4-5,7,14H,1-3,6,8H2,(H,15,16).
What are the key properties of 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid?
6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 103298670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).