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

C12H15ClN2O4S — CID 103342297

IUPACmethyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O4S/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)
InChIKeyDCXYZVJPWPDSAF-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.82
Rot. Bonds4

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

methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342297) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342297
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Namemethyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O4S/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)
InChIKeyDCXYZVJPWPDSAF-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342297) is methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of methyl 2-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is DCXYZVJPWPDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/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-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(5-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-[(5-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).