3-(3-methoxypropylsulfamoyl)benzoate

C11H14NO5S- — CID 36691372

IUPAC3-(3-methoxypropylsulfamoyl)benzoate
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1
InChIInChI=1S/C11H15NO5S/c1-17-7-3-6-12-18(15,16)10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)/p-1
InChIKeyPZUQIZKISUHHOP-UHFFFAOYSA-M
MW272.30 g/mol
LogP-0.64
Rot. Bonds7

About 3-(3-methoxypropylsulfamoyl)benzoate

3-(3-methoxypropylsulfamoyl)benzoate (PubChem CID 36691372) has the molecular formula C11H14NO5S- and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfamoyl)benzoate.

Molecular Properties

Compound Name3-(3-methoxypropylsulfamoyl)benzoate
PubChem CID36691372
Molecular FormulaC11H14NO5S-
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name3-(3-methoxypropylsulfamoyl)benzoate
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1
InChIInChI=1S/C11H15NO5S/c1-17-7-3-6-12-18(15,16)10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)/p-1
InChIKeyPZUQIZKISUHHOP-UHFFFAOYSA-M
XLogP-0.64
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.64
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

3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfamoyl)benzoate?
The IUPAC name of 3-(3-methoxypropylsulfamoyl)benzoate (CID 36691372) is 3-(3-methoxypropylsulfamoyl)benzoate.
What is the SMILES notation for 3-(3-methoxypropylsulfamoyl)benzoate?
The canonical SMILES for 3-(3-methoxypropylsulfamoyl)benzoate is COCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-(3-methoxypropylsulfamoyl)benzoate?
The InChIKey is PZUQIZKISUHHOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO5S/c1-17-7-3-6-12-18(15,16)10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)/p-1.
What are the key properties of 3-(3-methoxypropylsulfamoyl)benzoate?
3-(3-methoxypropylsulfamoyl)benzoate has a molecular weight of 272.30 g/mol, XLogP of -0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfamoyl)benzoate is sourced from PubChem (CID 36691372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).