phenyl 3-morpholin-4-ylsulfonylbenzoate

C17H17NO5S — CID 2679267

IUPACphenyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17NO5S/c19-17(23-15-6-2-1-3-7-15)14-5-4-8-16(13-14)24(20,21)18-9-11-22-12-10-18/h1-8,13H,9-12H2
InChIKeyDTBCNDRLQDYKNH-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds4

About phenyl 3-morpholin-4-ylsulfonylbenzoate

phenyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2679267) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is phenyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namephenyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2679267
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Namephenyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17NO5S/c19-17(23-15-6-2-1-3-7-15)14-5-4-8-16(13-14)24(20,21)18-9-11-22-12-10-18/h1-8,13H,9-12H2
InChIKeyDTBCNDRLQDYKNH-UHFFFAOYSA-N
XLogP1.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3927953
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
(6-bromonaphthalen-2-yl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634117
(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[3-(4-methylanilino)phenyl] 3-morpholin-4-ylsulfonylbenzoate
CID 1381654
(4-fluorophenyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 18230397
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3-fluorophenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 8779251
[(1R)-1-cyanoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2508494

Frequently Asked Questions

What is the IUPAC name of phenyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of phenyl 3-morpholin-4-ylsulfonylbenzoate (CID 2679267) is phenyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for phenyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for phenyl 3-morpholin-4-ylsulfonylbenzoate is O=C(Oc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of phenyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is DTBCNDRLQDYKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-17(23-15-6-2-1-3-7-15)14-5-4-8-16(13-14)24(20,21)18-9-11-22-12-10-18/h1-8,13H,9-12H2.
What are the key properties of phenyl 3-morpholin-4-ylsulfonylbenzoate?
phenyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 347.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2679267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).