methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate

C14H19NO5S — CID 103887621

IUPACmethyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H19NO5S/c1-10-9-11(7-8-20-10)15-21(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyBFTJEGAZBHRLRN-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate

methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate (PubChem CID 103887621) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
PubChem CID103887621
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H19NO5S/c1-10-9-11(7-8-20-10)15-21(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyBFTJEGAZBHRLRN-UHFFFAOYSA-N
XLogP1.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
CID 25023446
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114109226
methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
methyl 2-methyl-3-[[(3S)-oxan-3-yl]sulfamoyl]benzoate
CID 95173847
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate (CID 103887621) is methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC1CCOC(C)C1.
What is the InChIKey of methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate?
The InChIKey is BFTJEGAZBHRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-9-11(7-8-20-10)15-21(17,18)13-6-4-3-5-12(13)14(16)19-2/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate?
methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate is sourced from PubChem (CID 103887621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).