dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C24H21NO6S — CID 2591832

IUPACdibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H21NO6S/c1-16-6-7-17(14-23(16)32(27,28)25-10-12-29-13-11-25)24(26)30-18-8-9-22-20(15-18)19-4-2-3-5-21(19)31-22/h2-9,14-15H,10-13H2,1H3
InChIKeyQEOJBLJXWYDFBJ-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.13
Rot. Bonds4

About dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate

dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2591832) has the molecular formula C24H21NO6S and a molecular weight of 451.50 g/mol. Its IUPAC name is dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID2591832
Molecular FormulaC24H21NO6S
Molecular Weight451.50 g/mol
Exact Mass451.11
IUPAC Namedibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H21NO6S/c1-16-6-7-17(14-23(16)32(27,28)25-10-12-29-13-11-25)24(26)30-18-8-9-22-20(15-18)19-4-2-3-5-21(19)31-22/h2-9,14-15H,10-13H2,1H3
InChIKeyQEOJBLJXWYDFBJ-UHFFFAOYSA-N
XLogP4.13
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.13
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

naphthalen-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2677401
[3-[(4-methylbenzoyl)amino]phenyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 1040430
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
[2-(benzotriazol-2-yl)-4-methylphenyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 1127079
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664
(1-methoxy-1-oxopropan-2-yl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568784
(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 27010764
(4-bromophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 1124157
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 2591832) is dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is Cc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is QEOJBLJXWYDFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6S/c1-16-6-7-17(14-23(16)32(27,28)25-10-12-29-13-11-25)24(26)30-18-8-9-22-20(15-18)19-4-2-3-5-21(19)31-22/h2-9,14-15H,10-13H2,1H3.
What are the key properties of dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 451.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2591832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).