propyl 3-(diethylsulfamoyl)benzoate

C14H21NO4S — CID 78907711

IUPACpropyl 3-(diethylsulfamoyl)benzoate
SMILESCCCOC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C14H21NO4S/c1-4-10-19-14(16)12-8-7-9-13(11-12)20(17,18)15(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyYGPIPJUVBWNWQA-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.28
Rot. Bonds7

About propyl 3-(diethylsulfamoyl)benzoate

propyl 3-(diethylsulfamoyl)benzoate (PubChem CID 78907711) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is propyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Namepropyl 3-(diethylsulfamoyl)benzoate
PubChem CID78907711
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namepropyl 3-(diethylsulfamoyl)benzoate
SMILESCCCOC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C14H21NO4S/c1-4-10-19-14(16)12-8-7-9-13(11-12)20(17,18)15(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyYGPIPJUVBWNWQA-UHFFFAOYSA-N
XLogP2.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2689622
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224

Frequently Asked Questions

What is the IUPAC name of propyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of propyl 3-(diethylsulfamoyl)benzoate (CID 78907711) is propyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for propyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for propyl 3-(diethylsulfamoyl)benzoate is CCCOC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of propyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is YGPIPJUVBWNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-10-19-14(16)12-8-7-9-13(11-12)20(17,18)15(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of propyl 3-(diethylsulfamoyl)benzoate?
propyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 299.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 78907711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).