ethyl 2-(4-methoxyphenyl)sulfonylpentanoate

C14H20O5S — CID 10979504

IUPACethyl 2-(4-methoxyphenyl)sulfonylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H20O5S/c1-4-6-13(14(15)19-5-2)20(16,17)12-9-7-11(18-3)8-10-12/h7-10,13H,4-6H2,1-3H3
InChIKeyNTIGGVGLYWZAOU-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.20
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)sulfonylpentanoate

ethyl 2-(4-methoxyphenyl)sulfonylpentanoate (PubChem CID 10979504) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)sulfonylpentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)sulfonylpentanoate
PubChem CID10979504
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Nameethyl 2-(4-methoxyphenyl)sulfonylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H20O5S/c1-4-6-13(14(15)19-5-2)20(16,17)12-9-7-11(18-3)8-10-12/h7-10,13H,4-6H2,1-3H3
InChIKeyNTIGGVGLYWZAOU-UHFFFAOYSA-N
XLogP2.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methoxyphenyl)sulfonylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-methoxyphenyl)sulfonylpent-4-ynoate
CID 11066382
(2S)-2-(4-methoxyphenyl)sulfonyloctanoic acid
CID 129382055
ethyl 2-(benzenesulfonyl)-4-phenylbutanoate
CID 102448987
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-(4-methylphenyl)sulfonyl-5-phenylheptanoate
CID 23047896
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
ethyl 2-(2-nitrophenyl)sulfonylpentanoate
CID 83037327
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-(benzenesulfonyl)-1-(4-methoxyphenyl)butan-1-one
CID 10734330
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
2-(4-methoxyphenyl)sulfonyl-6-phenoxyhexanoic acid
CID 18416928

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)sulfonylpentanoate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)sulfonylpentanoate (CID 10979504) is ethyl 2-(4-methoxyphenyl)sulfonylpentanoate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)sulfonylpentanoate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)sulfonylpentanoate is CCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)sulfonylpentanoate?
The InChIKey is NTIGGVGLYWZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-4-6-13(14(15)19-5-2)20(16,17)12-9-7-11(18-3)8-10-12/h7-10,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)sulfonylpentanoate?
ethyl 2-(4-methoxyphenyl)sulfonylpentanoate has a molecular weight of 300.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)sulfonylpentanoate is sourced from PubChem (CID 10979504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).