ethyl 5-(phenylsulfamoyl)pentanoate

C13H19NO4S — CID 20780460

IUPACethyl 5-(phenylsulfamoyl)pentanoate
SMILESCCOC(=O)CCCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-18-13(15)10-6-7-11-19(16,17)14-12-8-4-3-5-9-12/h3-5,8-9,14H,2,6-7,10-11H2,1H3
InChIKeyWTEJERPSTLXJMU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.16
Rot. Bonds8

About ethyl 5-(phenylsulfamoyl)pentanoate

ethyl 5-(phenylsulfamoyl)pentanoate (PubChem CID 20780460) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 5-(phenylsulfamoyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(phenylsulfamoyl)pentanoate
PubChem CID20780460
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl 5-(phenylsulfamoyl)pentanoate
SMILESCCOC(=O)CCCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-18-13(15)10-6-7-11-19(16,17)14-12-8-4-3-5-9-12/h3-5,8-9,14H,2,6-7,10-11H2,1H3
InChIKeyWTEJERPSTLXJMU-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727
ethyl 4-[6-(phenylsulfamoyl)hexylamino]benzoate
CID 21163325
1-O-ethyl 4-O-[2-(phenylsulfamoyl)ethyl] benzene-1,4-dicarboxylate
CID 174435852
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
ethyl 3-anilinopropanoate
CID 10910393
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
ethyl 3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61459097
ethyl 4-[[(2R,4S)-4-hydroxy-2-phenylpentyl]sulfamoyl]butanoate
CID 97029132
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenylsulfamoyl)pentanoate?
The IUPAC name of ethyl 5-(phenylsulfamoyl)pentanoate (CID 20780460) is ethyl 5-(phenylsulfamoyl)pentanoate.
What is the SMILES notation for ethyl 5-(phenylsulfamoyl)pentanoate?
The canonical SMILES for ethyl 5-(phenylsulfamoyl)pentanoate is CCOC(=O)CCCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of ethyl 5-(phenylsulfamoyl)pentanoate?
The InChIKey is WTEJERPSTLXJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-18-13(15)10-6-7-11-19(16,17)14-12-8-4-3-5-9-12/h3-5,8-9,14H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-(phenylsulfamoyl)pentanoate?
ethyl 5-(phenylsulfamoyl)pentanoate has a molecular weight of 285.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenylsulfamoyl)pentanoate is sourced from PubChem (CID 20780460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).