methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate

C18H20FNO5S — CID 15714035

IUPACmethyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13(11-20-26(22,23)15-6-4-3-5-7-15)14-8-9-17(16(19)10-14)25-12-18(21)24-2/h3-10,13,20H,11-12H2,1-2H3
InChIKeyLWIYGKQZHKDVBZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.46
Rot. Bonds8

About methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate

methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate (PubChem CID 15714035) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate
PubChem CID15714035
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Namemethyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13(11-20-26(22,23)15-6-4-3-5-7-15)14-8-9-17(16(19)10-14)25-12-18(21)24-2/h3-10,13,20H,11-12H2,1-2H3
InChIKeyLWIYGKQZHKDVBZ-UHFFFAOYSA-N
XLogP2.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate?
The IUPAC name of methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate (CID 15714035) is methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate?
The canonical SMILES for methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate is COC(=O)COc1ccc(C(C)CNS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate?
The InChIKey is LWIYGKQZHKDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-13(11-20-26(22,23)15-6-4-3-5-7-15)14-8-9-17(16(19)10-14)25-12-18(21)24-2/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate?
methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate has a molecular weight of 381.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate is sourced from PubChem (CID 15714035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).