methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate

C14H19NO4S2 — CID 103836287

IUPACmethyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)10-6-3-4-9-13(10)21(17,18)15-11-7-5-8-12(11)20-2/h3-4,6,9,11-12,15H,5,7-8H2,1-2H3
InChIKeyJEDOKZCXSSUTMR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate

methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate (PubChem CID 103836287) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
PubChem CID103836287
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Namemethyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C14H19NO4S2/c1-19-14(16)10-6-3-4-9-13(10)21(17,18)15-11-7-5-8-12(11)20-2/h3-4,6,9,11-12,15H,5,7-8H2,1-2H3
InChIKeyJEDOKZCXSSUTMR-UHFFFAOYSA-N
XLogP2.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773053
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
CID 55572892
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
CID 8523828

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate (CID 103836287) is methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC1CCCC1SC.
What is the InChIKey of methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate?
The InChIKey is JEDOKZCXSSUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-19-14(16)10-6-3-4-9-13(10)21(17,18)15-11-7-5-8-12(11)20-2/h3-4,6,9,11-12,15H,5,7-8H2,1-2H3.
What are the key properties of methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate?
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate has a molecular weight of 329.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate is sourced from PubChem (CID 103836287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).