5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid

C16H24N2O6S — CID 99985967

IUPAC5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCCOCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C16H24N2O6S/c1-2-23-9-3-6-17-25(21,22)13-4-5-15(14(12-13)16(19)20)18-7-10-24-11-8-18/h4-5,12,17H,2-3,6-11H2,1H3,(H,19,20)
InChIKeyPVKYHESAAMZLFN-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.93
Rot. Bonds9

About 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid

5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid (PubChem CID 99985967) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
PubChem CID99985967
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCCOCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C16H24N2O6S/c1-2-23-9-3-6-17-25(21,22)13-4-5-15(14(12-13)16(19)20)18-7-10-24-11-8-18/h4-5,12,17H,2-3,6-11H2,1H3,(H,19,20)
InChIKeyPVKYHESAAMZLFN-UHFFFAOYSA-N
XLogP0.93
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 99985963
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
2-(3-ethoxypropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982109
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
2-(3-ethoxypropylamino)-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982757
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid (CID 99985967) is 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid is CCOCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The InChIKey is PVKYHESAAMZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-2-23-9-3-6-17-25(21,22)13-4-5-15(14(12-13)16(19)20)18-7-10-24-11-8-18/h4-5,12,17H,2-3,6-11H2,1H3,(H,19,20).
What are the key properties of 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid has a molecular weight of 372.44 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 99985967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).