(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate

C24H23NO6S — CID 2634080

IUPAC(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H23NO6S/c26-24(20-7-4-8-23(17-20)32(27,28)25-13-15-29-16-14-25)31-22-11-9-21(10-12-22)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2
InChIKeyMGWKZIDKLYIUCV-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.51
Rot. Bonds7

About (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate

(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2634080) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2634080
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Name(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H23NO6S/c26-24(20-7-4-8-23(17-20)32(27,28)25-13-15-29-16-14-25)31-22-11-9-21(10-12-22)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2
InChIKeyMGWKZIDKLYIUCV-UHFFFAOYSA-N
XLogP3.51
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
phenyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3927953
(6-bromonaphthalen-2-yl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634117
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
(4-phenylmethoxyphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 71902045
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate (CID 2634080) is (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate is O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MGWKZIDKLYIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S/c26-24(20-7-4-8-23(17-20)32(27,28)25-13-15-29-16-14-25)31-22-11-9-21(10-12-22)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2.
What are the key properties of (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate?
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 453.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2634080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).