methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate

C13H17NO6S — CID 647348

IUPACmethyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO6S/c1-18-13(15)10-20-11-2-4-12(5-3-11)21(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3
InChIKeyRFQRJPFONGHWBC-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.26
Rot. Bonds5

About methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate

methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate (PubChem CID 647348) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate
PubChem CID647348
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Namemethyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO6S/c1-18-13(15)10-20-11-2-4-12(5-3-11)21(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3
InChIKeyRFQRJPFONGHWBC-UHFFFAOYSA-N
XLogP0.26
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-sulfamoylphenoxy)propanoate
CID 2725665
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-(3-Ethoxy-4-fluorophenyl)sulfonylmorpholine
CID 934719
Ethyl 1-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-4-piperidinecarboxylate
CID 1082976
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-1-piperazinecarboxylate
CID 1082993
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022
Ethyl [4-({[2-(1-cyclohexen-1-yl)ethyl]amino}sulfonyl)phenoxy]acetate
CID 1314338
Methyl [4-({[2-(1-cyclohexen-1-yl)ethyl]amino}sulfonyl)phenoxy]acetate
CID 2194333

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate?
The IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate (CID 647348) is methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate is COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate?
The InChIKey is RFQRJPFONGHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-18-13(15)10-20-11-2-4-12(5-3-11)21(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate?
methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate has a molecular weight of 315.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-morpholin-4-ylsulfonylphenoxy)acetate is sourced from PubChem (CID 647348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).