methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate

C14H19NO5S — CID 103836080

IUPACmethyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C14H19NO5S/c1-20-14(17)11-6-2-3-8-13(11)21(18,19)15-12-7-4-5-10(12)9-16/h2-3,6,8,10,12,15-16H,4-5,7,9H2,1H3
InChIKeyFAGVSGYFKMFYDR-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.91
Rot. Bonds5

About methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate

methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate (PubChem CID 103836080) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
PubChem CID103836080
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C14H19NO5S/c1-20-14(17)11-6-2-3-8-13(11)21(18,19)15-12-7-4-5-10(12)9-16/h2-3,6,8,10,12,15-16H,4-5,7,9H2,1H3
InChIKeyFAGVSGYFKMFYDR-UHFFFAOYSA-N
XLogP0.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate (CID 103836080) is methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate?
The InChIKey is FAGVSGYFKMFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-14(17)11-6-2-3-8-13(11)21(18,19)15-12-7-4-5-10(12)9-16/h2-3,6,8,10,12,15-16H,4-5,7,9H2,1H3.
What are the key properties of methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate?
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate is sourced from PubChem (CID 103836080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).