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

C12H15ClN2O4S — CID 103343319

IUPACmethyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2O4S/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)
InChIKeyIYVYQXKMPWZOJW-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.82
Rot. Bonds4

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

methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343319) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343319
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Namemethyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2O4S/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)
InChIKeyIYVYQXKMPWZOJW-UHFFFAOYSA-N
XLogP1.82
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.82
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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Related Compounds

Methyl 2-[(5-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343138
Methyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343499
Methyl 4-[(5-chloro-2-pyridinyl)sulfamoyl]butanoate
CID 54952429
Methyl 4-[(6-chloro-2-pyridinyl)sulfamoyl]butanoate
CID 81872320
3-[(6-Chloro-2-pyridinyl)sulfamoyl]propanoic acid
CID 81872354
2-[(6-Chloro-2-pyridinyl)sulfamoyl]propanoic acid
CID 81872430
4-[(6-Chloro-2-pyridinyl)sulfamoyl]butanoic acid
CID 81872450
Methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
Methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
Methyl 2-[(3-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342273
Methyl 2-[(4-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342279
Methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342297

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343319) is methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1cccc(Cl)n1.
What is the InChIKey of methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is IYVYQXKMPWZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/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-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 318.78 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).