propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

C15H21NO5S — CID 43056423

IUPACpropan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)OC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-11(2)21-15(17)12-5-7-14(8-6-12)22(18,19)16-10-13-4-3-9-20-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeyBKJLLWBDHYYOAY-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.71
Rot. Bonds6

About propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate

propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate (PubChem CID 43056423) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
PubChem CID43056423
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namepropan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)OC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-11(2)21-15(17)12-5-7-14(8-6-12)22(18,19)16-10-13-4-3-9-20-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeyBKJLLWBDHYYOAY-UHFFFAOYSA-N
XLogP1.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxobutan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988391
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55475277
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 46528826
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983105
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119517490
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988399

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate (CID 43056423) is propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate is CC(C)OC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is BKJLLWBDHYYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-11(2)21-15(17)12-5-7-14(8-6-12)22(18,19)16-10-13-4-3-9-20-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate?
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 327.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 43056423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).