acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate

C14H17NO6S — CID 21266112

IUPACacetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
SMILESCC(=O)OC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO6S/c1-11(16)21-14(17)10-12-2-4-13(5-3-12)22(18,19)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3
InChIKeyLODDPGLMHYAGKZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP0.34
Rot. Bonds4

About acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate

acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate (PubChem CID 21266112) has the molecular formula C14H17NO6S and a molecular weight of 327.36 g/mol. Its IUPAC name is acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Nameacetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
PubChem CID21266112
Molecular FormulaC14H17NO6S
Molecular Weight327.36 g/mol
Exact Mass327.08
IUPAC Nameacetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
SMILESCC(=O)OC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO6S/c1-11(16)21-14(17)10-12-2-4-13(5-3-12)22(18,19)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3
InChIKeyLODDPGLMHYAGKZ-UHFFFAOYSA-N
XLogP0.34
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 162164234
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
(Z)-2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pent-2-enamide
CID 49016183
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The IUPAC name of acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate (CID 21266112) is acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate.
What is the SMILES notation for acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The canonical SMILES for acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate is CC(=O)OC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
The InChIKey is LODDPGLMHYAGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S/c1-11(16)21-14(17)10-12-2-4-13(5-3-12)22(18,19)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3.
What are the key properties of acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate?
acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate has a molecular weight of 327.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate is sourced from PubChem (CID 21266112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).