methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate

C13H16FNO4S — CID 103342191

IUPACmethyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H16FNO4S/c1-19-13(16)9-5-4-8-12(9)20(17,18)15-11-7-3-2-6-10(11)14/h2-3,6-7,9,12,15H,4-5,8H2,1H3
InChIKeyNHILEBKWYOVFHB-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342191) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342191
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Namemethyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H16FNO4S/c1-19-13(16)9-5-4-8-12(9)20(17,18)15-11-7-3-2-6-10(11)14/h2-3,6-7,9,12,15H,4-5,8H2,1H3
InChIKeyNHILEBKWYOVFHB-UHFFFAOYSA-N
XLogP1.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342312
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342191) is methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is NHILEBKWYOVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-19-13(16)9-5-4-8-12(9)20(17,18)15-11-7-3-2-6-10(11)14/h2-3,6-7,9,12,15H,4-5,8H2,1H3.
What are the key properties of methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).