(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate

C19H21NO6S — CID 9104401

IUPAC(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21NO6S/c1-24-18-5-3-2-4-16(18)14-26-19(21)15-6-8-17(9-7-15)27(22,23)20-10-12-25-13-11-20/h2-9H,10-14H2,1H3
InChIKeyGNIQFPIZUPYQPJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.07
Rot. Bonds6

About (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate

(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 9104401) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate
PubChem CID9104401
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21NO6S/c1-24-18-5-3-2-4-16(18)14-26-19(21)15-6-8-17(9-7-15)27(22,23)20-10-12-25-13-11-20/h2-9H,10-14H2,1H3
InChIKeyGNIQFPIZUPYQPJ-UHFFFAOYSA-N
XLogP2.07
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate (CID 9104401) is (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate is COc1ccccc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GNIQFPIZUPYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-24-18-5-3-2-4-16(18)14-26-19(21)15-6-8-17(9-7-15)27(22,23)20-10-12-25-13-11-20/h2-9H,10-14H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate?
(2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 391.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 9104401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).