methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate

C19H22O5S — CID 15612086

IUPACmethyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CCCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O5S/c1-23-17-9-11-18(12-10-17)25(21,22)13-3-4-15-5-7-16(8-6-15)14-19(20)24-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFYMZPIMTPVQABE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.82
Rot. Bonds8

About methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate

methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate (PubChem CID 15612086) has the molecular formula C19H22O5S and a molecular weight of 362.45 g/mol. Its IUPAC name is methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate
PubChem CID15612086
Molecular FormulaC19H22O5S
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Namemethyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CCCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O5S/c1-23-17-9-11-18(12-10-17)25(21,22)13-3-4-15-5-7-16(8-6-15)14-19(20)24-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFYMZPIMTPVQABE-UHFFFAOYSA-N
XLogP2.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate (CID 15612086) is methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate is COC(=O)Cc1ccc(CCCS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate?
The InChIKey is FYMZPIMTPVQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5S/c1-23-17-9-11-18(12-10-17)25(21,22)13-3-4-15-5-7-16(8-6-15)14-19(20)24-2/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate?
methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate has a molecular weight of 362.45 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(4-methoxyphenyl)sulfonylpropyl]phenyl]acetate is sourced from PubChem (CID 15612086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).