methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate

C12H15FN2O4S — CID 103343138

IUPACmethyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C12H15FN2O4S/c1-19-12(16)9-3-2-4-10(9)20(17,18)15-11-6-5-8(13)7-14-11/h5-7,9-10H,2-4H2,1H3,(H,14,15)
InChIKeyOTXQLLWDXYXZPP-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.30
Rot. Bonds4

About methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343138) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343138
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C12H15FN2O4S/c1-19-12(16)9-3-2-4-10(9)20(17,18)15-11-6-5-8(13)7-14-11/h5-7,9-10H,2-4H2,1H3,(H,14,15)
InChIKeyOTXQLLWDXYXZPP-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

Analyze methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343138) is methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is OTXQLLWDXYXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-19-12(16)9-3-2-4-10(9)20(17,18)15-11-6-5-8(13)7-14-11/h5-7,9-10H,2-4H2,1H3,(H,14,15).
What are the key properties of methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(5-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-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).