2-ethoxy-5-(pentylsulfamoyl)benzoic acid

C14H21NO5S — CID 43327811

IUPAC2-ethoxy-5-(pentylsulfamoyl)benzoic acid
SMILESCCCCCNS(=O)(=O)c1ccc(OCC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO5S/c1-3-5-6-9-15-21(18,19)11-7-8-13(20-4-2)12(10-11)14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCRASOALYGWZSIS-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.25
Rot. Bonds9

About 2-ethoxy-5-(pentylsulfamoyl)benzoic acid

2-ethoxy-5-(pentylsulfamoyl)benzoic acid (PubChem CID 43327811) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-ethoxy-5-(pentylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-(pentylsulfamoyl)benzoic acid
PubChem CID43327811
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-ethoxy-5-(pentylsulfamoyl)benzoic acid
SMILESCCCCCNS(=O)(=O)c1ccc(OCC)c(C(=O)O)c1
InChIInChI=1S/C14H21NO5S/c1-3-5-6-9-15-21(18,19)11-7-8-13(20-4-2)12(10-11)14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCRASOALYGWZSIS-UHFFFAOYSA-N
XLogP2.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 104654511
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
2-(2-methylpropylamino)-5-(pentylsulfamoyl)benzoic acid
CID 99986187
5-(cyanomethylsulfamoyl)-2-propoxybenzoic acid
CID 61209613
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(pentylsulfamoyl)benzoic acid?
The IUPAC name of 2-ethoxy-5-(pentylsulfamoyl)benzoic acid (CID 43327811) is 2-ethoxy-5-(pentylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-ethoxy-5-(pentylsulfamoyl)benzoic acid?
The canonical SMILES for 2-ethoxy-5-(pentylsulfamoyl)benzoic acid is CCCCCNS(=O)(=O)c1ccc(OCC)c(C(=O)O)c1.
What is the InChIKey of 2-ethoxy-5-(pentylsulfamoyl)benzoic acid?
The InChIKey is CRASOALYGWZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-3-5-6-9-15-21(18,19)11-7-8-13(20-4-2)12(10-11)14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-5-(pentylsulfamoyl)benzoic acid?
2-ethoxy-5-(pentylsulfamoyl)benzoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(pentylsulfamoyl)benzoic acid is sourced from PubChem (CID 43327811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).