methyl 2-(5-methoxypentylsulfamoyl)benzoate

C14H21NO5S — CID 103833559

IUPACmethyl 2-(5-methoxypentylsulfamoyl)benzoate
SMILESCOCCCCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO5S/c1-19-11-7-3-6-10-15-21(17,18)13-9-5-4-8-12(13)14(16)20-2/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyRIQVHKFVXZVNQU-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.57
Rot. Bonds9

About methyl 2-(5-methoxypentylsulfamoyl)benzoate

methyl 2-(5-methoxypentylsulfamoyl)benzoate (PubChem CID 103833559) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 2-(5-methoxypentylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(5-methoxypentylsulfamoyl)benzoate
PubChem CID103833559
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-(5-methoxypentylsulfamoyl)benzoate
SMILESCOCCCCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO5S/c1-19-11-7-3-6-10-15-21(17,18)13-9-5-4-8-12(13)14(16)20-2/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3
InChIKeyRIQVHKFVXZVNQU-UHFFFAOYSA-N
XLogP1.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 4-fluoro-2-(4-methoxybutylsulfamoyl)benzoate
CID 103833476
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650
3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 55230128
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxypentylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(5-methoxypentylsulfamoyl)benzoate (CID 103833559) is methyl 2-(5-methoxypentylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(5-methoxypentylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(5-methoxypentylsulfamoyl)benzoate is COCCCCCNS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(5-methoxypentylsulfamoyl)benzoate?
The InChIKey is RIQVHKFVXZVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-19-11-7-3-6-10-15-21(17,18)13-9-5-4-8-12(13)14(16)20-2/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of methyl 2-(5-methoxypentylsulfamoyl)benzoate?
methyl 2-(5-methoxypentylsulfamoyl)benzoate has a molecular weight of 315.39 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxypentylsulfamoyl)benzoate is sourced from PubChem (CID 103833559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).