methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate

C14H19NO5S — CID 62047918

IUPACmethyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H19NO5S/c1-10-3-4-13(12(9-10)14(16)19-2)15-21(17,18)11-5-7-20-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyJFXYLEAMGFTQGM-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.70
Rot. Bonds4

About methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate

methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate (PubChem CID 62047918) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
PubChem CID62047918
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H19NO5S/c1-10-3-4-13(12(9-10)14(16)19-2)15-21(17,18)11-5-7-20-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyJFXYLEAMGFTQGM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
CID 62047916
methyl 2-(dimethylsulfamoylamino)-5-methylbenzoate
CID 43624406
methyl 2-(bromomethylsulfonylamino)-5-methylbenzoate
CID 83083614
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
methyl 2-(cyclopent-3-ene-1-carbonylamino)-5-methylbenzoate
CID 64767203
methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate
CID 139512737
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate?
The IUPAC name of methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate (CID 62047918) is methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate is COC(=O)c1cc(C)ccc1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate?
The InChIKey is JFXYLEAMGFTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-3-4-13(12(9-10)14(16)19-2)15-21(17,18)11-5-7-20-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate?
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate is sourced from PubChem (CID 62047918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).