oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate

C14H19NO5S — CID 65380082

IUPACoxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
SMILESCCc1ccc(C(=O)OCC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-2-11-3-4-12(7-13(11)21(15,17)18)14(16)20-9-10-5-6-19-8-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,15,17,18)
InChIKeyIOKIXJAEPROJJS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.09
Rot. Bonds5

About oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate

oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate (PubChem CID 65380082) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
PubChem CID65380082
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Nameoxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
SMILESCCc1ccc(C(=O)OCC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-2-11-3-4-12(7-13(11)21(15,17)18)14(16)20-9-10-5-6-19-8-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,15,17,18)
InChIKeyIOKIXJAEPROJJS-UHFFFAOYSA-N
XLogP1.09
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
CID 65373557
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
oxolan-3-ylmethyl 2-bromo-5-sulfamoylbenzoate
CID 61237488
oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
CID 65375100
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
cyclopropylmethyl 4-(dimethylamino)-3-sulfamoylbenzoate
CID 65379621
ethyl 4-amino-3-(oxolan-3-ylmethoxy)benzoate
CID 82796221
oxolan-3-ylmethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65374139
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
oxolan-3-ylmethyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 65375489

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate?
The IUPAC name of oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate (CID 65380082) is oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate.
What is the SMILES notation for oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate?
The canonical SMILES for oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate is CCc1ccc(C(=O)OCC2CCOC2)cc1S(N)(=O)=O.
What is the InChIKey of oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate?
The InChIKey is IOKIXJAEPROJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-11-3-4-12(7-13(11)21(15,17)18)14(16)20-9-10-5-6-19-8-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,15,17,18).
What are the key properties of oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate?
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate has a molecular weight of 313.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate is sourced from PubChem (CID 65380082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).