1-(4-sulfamoylphenyl)ethyl tetradecanoate

C22H37NO4S — CID 139816764

IUPAC1-(4-sulfamoylphenyl)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(24)27-19(2)20-15-17-21(18-16-20)28(23,25)26/h15-19H,3-14H2,1-2H3,(H2,23,25,26)
InChIKeyAARWFNXOLWLGSD-UHFFFAOYSA-N
MW411.61 g/mol
LogP5.64
Rot. Bonds15

About 1-(4-sulfamoylphenyl)ethyl tetradecanoate

1-(4-sulfamoylphenyl)ethyl tetradecanoate (PubChem CID 139816764) has the molecular formula C22H37NO4S and a molecular weight of 411.61 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)ethyl tetradecanoate.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)ethyl tetradecanoate
PubChem CID139816764
Molecular FormulaC22H37NO4S
Molecular Weight411.61 g/mol
Exact Mass411.24
IUPAC Name1-(4-sulfamoylphenyl)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(24)27-19(2)20-15-17-21(18-16-20)28(23,25)26/h15-19H,3-14H2,1-2H3,(H2,23,25,26)
InChIKeyAARWFNXOLWLGSD-UHFFFAOYSA-N
XLogP5.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.61
LogP ≤ 55.64
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

4-(1-decanoyloxyethyl)benzoic acid
CID 14675895
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
CID 132573494
1-[4-(4-butoxyphenyl)phenyl]ethyl dodecanoate
CID 139694035
1-[4-(4-butoxyphenyl)phenyl]ethyl tridecanoate
CID 139693676
1-[4-(4-tridecoxyphenyl)phenyl]ethyl undecanoate
CID 139693507
1-[4-(2-phenylphenyl)phenyl]ethyl undecanoate
CID 139693617
1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate
CID 14323892
1-[4-(4-pentoxyphenyl)phenyl]ethyl dodecanoate
CID 139693483
5-O-[1-(4-fluorophenyl)ethyl] 1-O-heptyl pentanedioate
CID 91711814
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790
1-(4-phenylmethoxyphenyl)ethyl pentacosanoate
CID 23032602
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139694248

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)ethyl tetradecanoate?
The IUPAC name of 1-(4-sulfamoylphenyl)ethyl tetradecanoate (CID 139816764) is 1-(4-sulfamoylphenyl)ethyl tetradecanoate.
What is the SMILES notation for 1-(4-sulfamoylphenyl)ethyl tetradecanoate?
The canonical SMILES for 1-(4-sulfamoylphenyl)ethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)ethyl tetradecanoate?
The InChIKey is AARWFNXOLWLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(24)27-19(2)20-15-17-21(18-16-20)28(23,25)26/h15-19H,3-14H2,1-2H3,(H2,23,25,26).
What are the key properties of 1-(4-sulfamoylphenyl)ethyl tetradecanoate?
1-(4-sulfamoylphenyl)ethyl tetradecanoate has a molecular weight of 411.61 g/mol, XLogP of 5.64, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)ethyl tetradecanoate is sourced from PubChem (CID 139816764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).