ethyl 4-(2-hydroxypentylsulfamoyl)benzoate

C14H21NO5S — CID 115754497

IUPACethyl 4-(2-hydroxypentylsulfamoyl)benzoate
SMILESCCCC(O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H21NO5S/c1-3-5-12(16)10-15-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,15-16H,3-5,10H2,1-2H3
InChIKeyCSVVRYPVRBGPNJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.30
Rot. Bonds8

About ethyl 4-(2-hydroxypentylsulfamoyl)benzoate

ethyl 4-(2-hydroxypentylsulfamoyl)benzoate (PubChem CID 115754497) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 4-(2-hydroxypentylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxypentylsulfamoyl)benzoate
PubChem CID115754497
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Nameethyl 4-(2-hydroxypentylsulfamoyl)benzoate
SMILESCCCC(O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H21NO5S/c1-3-5-12(16)10-15-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,15-16H,3-5,10H2,1-2H3
InChIKeyCSVVRYPVRBGPNJ-UHFFFAOYSA-N
XLogP1.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
2-[(4-ethoxycarbonylphenyl)sulfonylamino]hexanoic acid
CID 91901067
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxypentylsulfamoyl)benzoate?
The IUPAC name of ethyl 4-(2-hydroxypentylsulfamoyl)benzoate (CID 115754497) is ethyl 4-(2-hydroxypentylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 4-(2-hydroxypentylsulfamoyl)benzoate?
The canonical SMILES for ethyl 4-(2-hydroxypentylsulfamoyl)benzoate is CCCC(O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(2-hydroxypentylsulfamoyl)benzoate?
The InChIKey is CSVVRYPVRBGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-3-5-12(16)10-15-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,15-16H,3-5,10H2,1-2H3.
What are the key properties of ethyl 4-(2-hydroxypentylsulfamoyl)benzoate?
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate has a molecular weight of 315.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxypentylsulfamoyl)benzoate is sourced from PubChem (CID 115754497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).