methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate

C12H15FN2O4S — CID 103343499

IUPACmethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H15FN2O4S/c1-19-12(16)8-4-2-5-9(8)20(17,18)15-11-7-3-6-10(13)14-11/h3,6-9H,2,4-5H2,1H3,(H,14,15)
InChIKeyUHTCFCAMTVGKHV-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.30
Rot. Bonds4

About methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343499) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343499
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H15FN2O4S/c1-19-12(16)8-4-2-5-9(8)20(17,18)15-11-7-3-6-10(13)14-11/h3,6-9H,2,4-5H2,1H3,(H,14,15)
InChIKeyUHTCFCAMTVGKHV-UHFFFAOYSA-N
XLogP1.30
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343499) is methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is UHTCFCAMTVGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-19-12(16)8-4-2-5-9(8)20(17,18)15-11-7-3-6-10(13)14-11/h3,6-9H,2,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).